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(LS) versus (jj) coupling in P 2p inner-shell excited states of PF3 Academic Article
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7-Norbornyl Cation Fact or Fiction? A QTAIM-DI-VISAB Computational Study Academic Article
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Ab initio study of sodium diffusion and adsorption on boron-doped graphyne as promising anode material in sodium-ion batteries Academic Article
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EJ ensemble momentum sampling Academic Article
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In situ x-ray diffraction studies of alkyl quaternary ammonium montmorillonite in a CO2 environment Academic Article
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K‐shell shape resonances and intramolecular bond lengths. Comments on ‘‘The relationship between shape resonances and bond lengths’’ Academic Article
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IOData
: A python library for reading, writing, and converting computational chemistry file formats and generating input files Academic Article
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125I-Radiolabeling, Surface Plasmon Resonance, and Quartz Crystal Microbalance with Dissipation: Three Tools to Compare Protein Adsorption on Surfaces of Different Wettability Academic Article
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125Te NMR provides evidence of autoassociation of organo-ditellurides in solution Academic Article
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A β-NMR study of the depth, temperature, and molecular-weight dependence of secondary dynamics in polystyrene: Entropy–enthalpy compensation and dynamic gradients near the free surface Academic Article
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A Combination of Chemotherapy and Oncolytic Virotherapy Sensitizes Colorectal Adenocarcinoma to Immune Checkpoint Inhibitors in a cDC1-Dependent Manner Academic Article
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A DFT study on the effect of surface termination in CdTe (111)/α-Al2O3 (0001) heteroepitaxy Academic Article
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A Facile Method of Forming Nanoscale Patterns on Poly(ethylene glycol)-Based Surfaces by Self-Assembly of Randomly Grafted Block Copolymer Brushes Academic Article
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A Hamilton–Jacobi type equation for computing minimum potential energy paths Academic Article
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A Mössbauer study of xenon compounds Academic Article
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A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals Academic Article
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A QTAIM and Electron Delocalization Computational Study of tert-Butylmethylene, Trimethylsilylmethylene, and Trimethylgermylmethylene. A New Method for Unambiguously Characterizing the Bonding between Pairs of Atoms in Reaction Intermediates Academic Article
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A TEM and electron energy loss spectroscopy (EELS) investigation of active and inactive silver particles for surface enhanced resonance Raman spectroscopy (SERRS) Academic Article
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A combined computational-experimental study on the effect of Na2O on the fluoride volatilization in molten slags Academic Article
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A computer simulation for the study of macromolecular adsorption with special applications to single-component protein adsorption Academic Article
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A defect theory for the glass transition and residual entropy of hyperquenched water Academic Article
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A determination of the temperature dependence of segregation for A 56 a/o Ni−Co alloy on (111) and (210) faces using AES Academic Article
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A dielectric fallacy in inferring Tg of water Academic Article
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A double quantum 129Xe NMR experiment for probing xenon in multiply-occupied cavities of solid-state inclusion compounds Conference Paper
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A high performance grid-based algorithm for computing QTAIM properties Academic Article
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A label-free luminescent light switching system for miRNA detection based on two color quantum dots Academic Article
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A magnetic resonance and electrochemical study of the role of polymer mobility in supporting hydrogen transport in perfluorosulfonic acid membranes Academic Article
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A metropolis Monte Carlo method for computing microcanonical statistical rate constants Academic Article
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A molecular orbital theory of hydrocarbons Academic Article
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A molecular orbital theory of hydrocarbons Academic Article
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A molecular orbital theory of hydrocarbons Academic Article
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A new Tb3+-selective fluorescent sensor based on 2-(5-(dimethylamino)naphthalen-1-ylsulfonyl)-N-henylhydrazinecarbothioamide Academic Article
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A new approach to study bonding anisotropy with EELS Academic Article
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A new route to poly(N-isopropylacrylamide) microgels supporting a polyvinylamine corona Academic Article
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A new t-PA releasing concept based on protein–protein displacement Academic Article
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A perspective on the link between the exchange(-correlation) hole and dispersion forces Academic Article
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A practical and efficient method to calculate AIM localization and delocalization indices at post-HF levels of theory Academic Article
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A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory fails Academic Article
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A quantitative experimental study of the core excited electronic states of formamide, formic acid, and formyl fluoride Academic Article
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A quantum informational approach for dissecting chemical reactions Academic Article
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A reference-free stockholder partitioning method based on the force on electrons Academic Article
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A resolution for the enigma of a liquid’s configurational entropy-molecular kinetics relation Academic Article
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A selective colorimetric and fluorescence chemosensing sensor for Cr3+ based on a rhodamine base derivative Academic Article
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A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss Academic Article
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A sequential nanopore-channel device for polymer separation Academic Article
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A simple algorithm for the Kohn–Sham inversion problem applicable to general target densities Academic Article
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A simple assay for azide surface groups on clickable polymeric nanoparticles Academic Article
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A simulated annealing approach for solving zeolite crystal structures from two-dimensional NMR correlation spectra Academic Article
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A study of carrier generation in β-metal-free phthalocyanine Academic Article
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A study of carrier generation mechanism in x‐metal‐free phthalocyanine Academic Article
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A study of carrier generation mechanism in benzimidazole perylene/tetraphenyldiamine thin film structures Academic Article
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A study of quenching and enhancing effects of some amino acids on peroxyoxalate chemiluminescence of rhodamine 6G Academic Article
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A study of the phase transition and relaxation of a Pt(100) surface by MeV ion backscattering and channeling Academic Article
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A symmetry problem in polymer calculations Academic Article
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A valence- and inner-shell electronic and photoelectron spectroscopic study of the frontier orbitals of 2,1,3-benzothiadiazole, C6H4SN2, 1,3,2,4-benzodithiadiazine, C6H4S2N2, and 1,3,5,2,4-benzotrithiadiazepine, C6H4S3N2 Academic Article
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AB initio calculations for the 3d-exponent of phosphorus and sulphur Academic Article
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ACKS2: Atom-condensed Kohn-Sham DFT approximated to second order Academic Article
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Abnormal Social Interactions in a Drosophila Mutant of an Autism Candidate Gene: Neuroligin 3 Academic Article
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Absolute coverage and isostemc heat of adsorption of deuterium on Pt(111) studied by nuclear microanalysis Academic Article
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Absolute coverages and hysteresis phenomena associated with the CO‐induced Pt(100) hex⇄(1×1) phase transition Academic Article
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Absolute coverages of CO and O on Pt(111); Comparison of saturation CO coverages on Pt(100), (110) and (111) surfaces Academic Article
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Absolute dipole oscillator strengths for molecular and dissociative photoionization of COS (10–50 eV) and CS2 (10–40 eV) Academic Article
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Absolute oscillator strengths for valence-shell ionic photofragmentations of N2O and CO2 (8–75 eV) Academic Article
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Accurate quantum yields by laser gain vs absorption spectroscopy: Investigation of Br/Br* channels in photofragmentation of Br2 and IBr Academic Article
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Acetylsalicylic acid (ASA) increases the solubility of cholesterol when incorporated in lipid membranes Academic Article
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Activin A and Cell-Surface GRP78 Are Novel Targetable RhoA Activators for Diabetic Kidney Disease Academic Article
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Addressing the Coulomb potential singularity in exchange-correlation energy integrals with one-electron and two-electron basis sets Academic Article
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Adiponectin—Consideration for its Role in Skeletal Muscle Health Academic Article
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Adsorption Science and Technology Journal
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Adsorption and Covalent Coupling of ATP-Binding DNA Aptamers onto Cellulose Academic Article
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Adsorption of Fibrinogen and Lysozyme on Silicon Grafted with Poly(2-methacryloyloxyethyl Phosphorylcholine) via Surface-Initiated Atom Transfer Radical Polymerization Academic Article
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Adsorption of Humic Acid on Goethite: Isotherms, Charge Adjustments, and Potential Profiles Academic Article
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Adsorption of aqueous copper chlorophyllin mixtures on model surfaces Academic Article
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Adsorption of atomic oxygen on GaAs(001)-(2×4) and the resulting surface structures Academic Article
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Adsorption of ethylene on graphite near saturation: wetting transition/capillary condensation Academic Article
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Adsorption of fibrinogen on glass: reversibility aspects Academic Article
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Adsorption of nitrogen on platinum Academic Article
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Adsorption of plasminogen to glass and polyurethane surfaces Academic Article
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Advances in Chemical Physics Journal
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Advances in Colloid and Interface Science Journal
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Advances in Quantum Chemistry Journal
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Aging kinetics of levoglucosan orientational glass as a rate dispersion process and consequences for the heterogeneous dynamics view Academic Article
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Alternative Ornstein-Zernike models from the homogeneous electron liquid for density functional theory calculations Academic Article
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Alternative definition of exchange-correlation charge in density functional theory Academic Article
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Alternatives to the electron density for describing Coulomb systems Academic Article
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Aminated Thermoresponsive Microgels Prepared from the Hofmann Rearrangement of Amides without Side Reactions Academic Article
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Ammonia Decomposition on Tungsten Surfaces Academic Article
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Amorphous solid water’s isotopic exchange kinetics Academic Article
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Amyloid-β25–35peptides aggregate into cross-β sheets in unsaturated anionic lipid membranes at high peptide concentrations Academic Article
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An Automated Micro-Total Immunoassay System for Measuring Cancer-Associated α2,3-linked Sialyl N-Glycan-Carrying Prostate-Specific Antigen May Improve the Accuracy of Prostate Cancer Diagnosis Academic Article
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An Emerging Cross-Species Marker for Organismal Health: Tryptophan-Kynurenine Pathway Academic Article
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An X-ray Spectromicroscopy Study of Protein Adsorption to Polystyrene−Poly(ethylene oxide) Blends Academic Article
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An analysis for β‐process in several molecular glasses Academic Article
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An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water Academic Article
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An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces Academic Article
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An electron-preceding perspective on the deformation of materials Academic Article
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An elementary derivation of the hard/soft-acid/base principle Academic Article
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An equilibrium supercooled liquid’s entropy and enthalpy in the Kauzmann and the third law extrapolations, and a proposed experimental resolution Academic Article
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An estimate for the Gibbs energy of amorphous solid waters and differences between the low-density amorph and glassy water Academic Article
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An explicit approach to conceptual density functional theory descriptors of arbitrary order Academic Article
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An ice phase of lowest thermal conductivity Academic Article
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An improved molecular dynamics algorithm to study thermodiffusion in binary hydrocarbon mixtures Academic Article
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An information-theoretic resolution of the ambiguity in the local hardness Academic Article
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An interpretation for the thermodynamic features of ice Ih↔ice XI transformation Academic Article
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An investigation into allegations of double scattering in the carbon K-shell electron energy loss spectrum of acetylene Academic Article
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An isotopic disorder as a possible cause of the intrinsic electronic localization in some materials with narrow electronic bands Academic Article
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Analyses for a dipolar relaxation in the featureless dielectric spectrum, and a comparison between the permittivity, modulus and impedance representations Academic Article
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Analysis of density functionals and their density tails in H2 Academic Article
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Analysis of density functionals and their density tails in H2 Academic Article
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Analysis of the conformational dependence of mass-metric tensor determinants in serial polymers with constraints Academic Article
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Analytical description of colloid behavior in single fractures under irreversible deposition Academic Article
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Anesthetics significantly increase the amount of intramembrane water in lipid membranes Academic Article
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Anisotropy and anharmonicity in polystyrene stable glass Academic Article
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Anomalous and anisotropic nanoscale diffusion of hydration water molecules in fluid lipid membranes Academic Article
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Application of Polymer Adsorption Models to Dynamic Surface Tension Academic Article
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Application of SCF perturbation theory to molecular calculations Academic Article
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Application of SCF perturbation theory to the study of tetrahedrally bonded valence crystals Academic Article
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Application of an InGaAsP diode laser to probe photodissociation dynamics: I* quantum yields from n‐ and i‐C3F7I and CH3I by laser gain vs absorption spectroscopy Academic Article
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Application of octanohydroxamic acid for liquid-liquid extraction of manganese oxides and fabrication of supercapacitor electrodes Academic Article
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Application of second-order SCF perturbation theory to the calculation of mixed-frequency hyperpolarizabilities from time-dependent Hartree-Fock theory Academic Article
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Application of second-order SCF perturbation theory to the solution of time-dependent Hartree—Fock equations Academic Article
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Application of the electron density force to chemical reactivity Academic Article
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Applied Magnetic Resonance Journal
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Approach to universal self-similar attractor for the levelling of thin liquid films Academic Article
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Approximate Self‐Consistent Molecular Orbital Theory. I. Invariant Procedures Academic Article
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Approximate Self‐Consistent Molecular Orbital Theory. IV. Calculations on Molecules Including the Elements Sodium through Chlorine Academic Article
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Ar 2p spectroscopy of free argon clusters Academic Article
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Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition? Academic Article
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Argon cluster evaporation dynamics Academic Article
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Assessment of the March-Santamaria kinetic energy pair-density functional Academic Article
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Asymmetric Dimethylarginine in Chronic Obstructive Pulmonary Disease (ADMA in COPD) Academic Article
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Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States Academic Article
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Atomic structure determination for GaAs(001)-(6×6) by STM Academic Article
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Atomic-level 2-dimensional chemical mapping and imaging of individual dopants in a phosphor crystal Academic Article
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Atoms in molecules, an axiomatic approach. I. Maximum transferability Academic Article
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Auger energy shifts and core level relaxation energies in XeF2, XeF4, and XeF6 Academic Article
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Auger-spectrum simulation techniques for surface analysis of alloys with overlapping peaks: sputtered and annealed W—Mo alloys Academic Article
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Automated Parametrization of AMBER Force Field Terms from Vibrational Analysis with a Focus on Functionalizing Dinuclear Zinc(II) Scaffolds Academic Article
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Average electronic energy is the central quantity in conceptual chemical reactivity theory Academic Article
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Back matter Academic Article
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Bacteria survival probability in bactericidal filter paper Academic Article
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Bacterial Capture Efficiency and Antimicrobial Activity of Phage-Functionalized Model Surfaces Academic Article
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Balancing the atomic waistline: Isodensity-based scrf radii for main-group elements and transition metals Academic Article
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Band alignment of monolayer CaP3, CaAs3, BaAs3 and the role of p–d orbital interactions in the formation of conduction band minima Academic Article
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Band structure calculations for ethylene and urea Academic Article
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Bayesian uncertainty quantification in inverse modeling of electrochemical systems Academic Article
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Behavior of proteins at interfaces Academic Article
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Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series Academic Article
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Benchmarking Cellulose Nanocrystals Part II: New Industrially Produced Materials Academic Article
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Benchmarking Cellulose Nanocrystals: From the Laboratory to Industrial Production Academic Article
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Benchmarking pKa prediction methods for Lys115 in acetoacetate decarboxylase Academic Article
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Between a reactant rock and a solvent hard place – molecular corrals guide aromatic substitutions Academic Article
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Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density Academic Article
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Beyond the halogen bond: general discussion Academic Article
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Bibliography and database of inner shell excitation spectra of gas phase atoms and molecules Academic Article
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Bibliography of atomic and molecular inner-shell excitation studies Academic Article
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Binding Energies in Atomic Negative Ions: III Academic Article
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Binding of solvated peptide (EPLQLKM) with a graphene sheet via simulated coarse-grained approach Academic Article
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Bio-inspired catechol chemistry for electrophoretic nanotechnology of oxide films Academic Article
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Bio-inspired super liquid-repellent membranes for membrane distillation: Mechanisms, fabrications and applications Academic Article
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Biomimetic modification of poly-l-lysine and electrodeposition of nanocomposite coatings for orthopaedic applications Academic Article
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Biomimetic strategies in colloidal-electrochemical deposition of functional materials and composites using chenodeoxycholic acid Academic Article
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Biomimetic strategy for electrophoretic deposition of composite ferroelectric poly(vinylidene, fluoride-co-hexafluoropropylene) – ferrimagnetic NiFe2O4 films Academic Article
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Biomimetically modified chitosan for electrophoretic deposition of composites Academic Article
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Biophysical Reviews and Letters Journal
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Biotinylation of TiO2 Nanoparticles and Their Conjugation with Streptavidin Academic Article
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Birefringence in spin-coated films containing cellulose nanocrystals Academic Article
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Block copolymer self-organization vs. interfacial modification in bilayered thin-film laminates Academic Article
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Blowing drops off a filament Academic Article
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Bond metallicity of materials from real space charge density distributions Academic Article
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Bond-angle and bond-length dependence of bound-state resonances in inner-shell excitation spectra of SF4 Conference Paper
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Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation Academic Article
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Borate Binding to Polyol-Stabilized Latex Academic Article
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Brain Metastasis-Initiating Cells: Survival of the Fittest Academic Article
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Breathable Microgel Colloidosome: Gas-Switchable Microcapsules with O2 and CO2 Tunable Shell Permeability for Hierarchical Size-Selective Control Release Academic Article
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Brewster angle Raman scattering from transparent crystals Academic Article
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Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Academic Article
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CNDO Molecular‐Orbital Theory of Molecular Spectra. I. The Virtual‐Orbital Approximation to Excited States Academic Article
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CNDO Molecular‐Orbital Theory of Molecular Spectra. III. Calculations for the Fluorosulfate Radical Academic Article
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CNH2+: Laboratory generation of a proposed interstellar species Academic Article
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COORDINATION OF DATA ON PHASE-EQUILIBRIA .1. PRINCIPLES OF THE TECHNIQUE Academic Article
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CORE EXCITATION IN FREE CLUSTERS: IONIZATION, RELAXATION, AND FRAGMENTATION Conference Paper
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Calculation of Fukui Functions Without Differentiating to the Number of Electrons. 3. Local Fukui Function and Dual Descriptor Academic Article
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Calculation of frequency-dependent polarizabilities by means of SCF perturbation theory Academic Article
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Calculation of molecular geometries by SCF perturbation theory Academic Article
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Calculations of second-order TDHF equations for ammonia Academic Article
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Calculations on the photodissociation of acetone Academic Article
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Calorimetric effects of intergranular water in ice Academic Article
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Can one oxidize an atom by reducing the molecule that contains it? Academic Article
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Capillary leveling of stepped films with inhomogeneous molecular mobility Academic Article
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Capillary levelling as a probe of thin film polymer rheology Academic Article
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Capillary levelling of a cylindrical hole in a viscous film Academic Article
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Carbon K‐shell electron energy loss spectra of 1‐ and 2‐butenes, trans‐1,3‐butadiene, and perfluoro‐2‐butene. Carbon–carbon bond lengths from continuum shape resonances Academic Article
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Carbon K‐shell excitation of gaseous and condensed cyclic hydrocarbons: C3H6, C4H8, C5H8, C5H10, C6H10, C6H12, and C8H8 Academic Article
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Carbon K-shell excitation of C2H2, C2H4, C2H6 and C6H6 by 2.5 keV electron impact Academic Article
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Carbon K-shell excitation spectra of linear and branched alkanes Academic Article
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Carbonic Anhydrase as a Biomarker of Global and Local Impacts: Insights from Calcifying Animals Academic Article
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Cataphoretic assembly of cationic dyes and deposition of carbon nanotube and graphene films Academic Article
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Cathodic electrodeposition of ceramic and organoceramic materials. Fundamental aspects Academic Article
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Cathodic electrophoretic deposition of manganese dioxide films Academic Article
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Cationic polyvinylamine binding to anionic microgels yields kinetically controlled structures Academic Article
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Cationic surface functionalization of cellulose nanocrystals Academic Article
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Celebrating 43 years and 200 volumes of JESRP Academic Article
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Cell Adhesion on a POEGMA-Modified Topographical Surface Academic Article
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Chain Conformation of a New Class of PEG-Based Thermoresponsive Polymer Brushes Grafted on Silicon as Determined by Neutron Reflectometry Academic Article
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Chain formation in a magnetic fluid under the influence of strong external magnetic fields studied by small angle neutron scattering Academic Article
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Chain statistics and the changes in the entropy and heat capacity during melt polymerization Academic Article
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Challenges to Achieving Strong but Fully Degradable Adhesive Joints between Wet Cellulose Surfaces Academic Article
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Change in entropy in thermal hysteresis of liquid-glass-liquid transition and consequences of violating the Clausius theorem Academic Article
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Changes in the Morphology of Self-Assembled Polystyrene Microsphere Monolayers Produced by Annealing Academic Article
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Changing the magnetic properties of microstructure by directing the self-assembly of superparamagnetic nanoparticles Academic Article
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Channel flow cell studies on the evaluation of surface pretreatments using phosphoric acid or polymaleic acid for calcite stone protection Academic Article
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Chapter 1 Chemical reactivity and the shape function Academic Article
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Chapter 16: Linear inequalities for diagonal elements of density matrices Academic Article
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Characteristics of BPA removal from water by PACl-Al13 in coagulation process Academic Article
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Characteristics of power spectra for regular and chaotic systems Academic Article
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Characterization of anisotropic poly(vinyl alcohol) hydrogel by small- and ultra-small-angle neutron scattering Academic Article
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Characterization of iminothiosulfine-type ions [HNCS2]+/− and their neutral counterparts by mass spectrometry and computational chemistry Academic Article
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Characterization of the Chemical Behavior of the Low Excited States through a Local Chemical Potential Academic Article
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Characterization of the Impact of Oncolytic Vesicular Stomatitis Virus on the Trafficking, Phenotype, and Antigen Presentation Potential of Neutrophils and Their Ability to Acquire a Non-Structural Viral Protein Academic Article
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Characterizing anomalous diffusion in crowded polymer solutions and gels over five decades in time with variable-lengthscale fluorescence correlation spectroscopy Academic Article
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Characterizing charge and crosslinker distributions in polyelectrolyte microgels Academic Article
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Characterizing the sensitivity of bonds to the curvature of carbon nanotubes Academic Article
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Charge regulation enables anionic hydroxypropyl guar-borate adsorption onto anionic and cationic polystyrene latex Academic Article
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Charge transfer and chemical potential in 1,3-dipolar cycloadditions Academic Article
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Chargephilicity and chargephobicity: Two new reactivity indicators for external potential changes from density functional reactivity theory Academic Article
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ChemPhysChem Journal
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Chemical Physics Journal
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Chemical Physics Letters Journal
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Chemical Pulsed-Force Microscopy of Single Polyethyleneimine Molecules in Aqueous Solution Academic Article
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Chemical and physical effects during spontaneous relaxation of a network-structure glass Academic Article
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Chemical hardness: Temperature dependent definitions and reactivity principles Academic Article
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Chemical in situ modulation of doping interactions between oligoanilines and nanocarbon films Academic Article
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Chemical metastability loss and molecular dynamics by dielectric relaxations during the catalytic polymerization of a diepoxide Academic Article
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Chemical verification of variational second-order density matrix based potential energy surfaces for the N2 isoelectronic series Academic Article
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Chemically ordered fcc (111) Mn–(FexNi1−x) alloy ultrathin films Academic Article
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Chemically selective adsorption of molecular oxygen on GaAs(100)c(2×8) Academic Article
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Chemisorption of thiolated poly(ethylene oxide) to gold: surface chain densities measured by ellipsometry and neutron reflectometry Academic Article
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Chitosan-Based biogels: A potential approach to trap and bioremediate naphthalene Academic Article
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Cholesterol expels ibuprofen from the hydrophobic membrane core and stabilizes lamellar phases in lipid membranes containing ibuprofen Academic Article
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Choosing mineral flotation collectors from large nanoparticle libraries Academic Article
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Circumvention of Fluorophore Photobleaching in Fluorescence Fluctuation Experiments: a Beam Scanning Approach Academic Article
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Co-doping studies to enhance the life and electro-chemo-mechanical properties of the LiMn2O4 cathode using multi-scale modeling and neuro-computing techniques Academic Article
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Co-existence of gel and fluid lipid domains in single-component phospholipid membranes Academic Article
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Coincidence Measurements in Dual-Color Confocal Microscopy: A Combined Single-Particle and Fluorescence Correlation Approach Academic Article
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Collision‐induced dissociation of laser‐excited Br2[B 3Π(0+u);v’, J’]: Formation of Br*(2P1/2)+Br(2P3/2) at energies 1–5 kT below dissociation Academic Article
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Colloidal Complexes from Poly(vinyl amine) and Carboxymethyl Cellulose Mixtures Academic Article
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Colloidal Flocculation with Poly(ethylene oxide)/Polypeptide Complexes Academic Article
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Colloidal Stability of Stöber Silica in Acetone Academic Article
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Colloidal Stability of Stöber Silica in Acetone–Water Mixtures Academic Article
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Colloidal methods for the fabrication of carbon nanotube–manganese dioxide and carbon nanotube–polypyrrole composites using bile acids Academic Article
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Colloidal strategies for electrophoretic deposition of organic-inorganic composites for biomedical applications Academic Article
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Colloidal-electrochemical fabrication strategies for functional composites of linear polyethylenimine Academic Article
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Colloids and Surfaces A: Physicochemical and Engineering Aspects Journal
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Colloids and Surfaces B: Biointerfaces Journal
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Combined NMR and molecular dynamics modeling study of transport properties in sulfonamide based deep eutectic lithium electrolytes: LiTFSI based binary systems Academic Article
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Combined Radionuclide Therapy and Immunotherapy for Treatment of Triple Negative Breast Cancer Academic Article
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Combining density functional theory and 23Na NMR to characterize Na2FePO4F as a potential sodium ion battery cathode Academic Article
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Comment on Effect of Temperature on Surfactant-Driven Water Movement in Wet “Unsaturated” Sand Academic Article
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Comment on ‘Enhancement of carrier mobility in MEH-PPV film prepared under presence of electric field’ by Quanmin Shi [Chem. Phys. Lett. 425 (2006) 353] Academic Article
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Comment on “Cholesterol solubility limit in lipid membranes probed by small angle neutron scattering and MD simulations” by S. Garg et al., Soft Matter, 2014, 10, 9313 Academic Article
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Comment on “Dynamics of glass-forming liquids. XIII. Microwave heating in slow motion” [J. Chem. Phys. 130, 194509 (2009)] Academic Article
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Comment on “Glass transition in pure and doped amorphous solid water: An ultrafast microcalorimetry study” [J. Chem. Phys. 125, 094501 (2006)] Academic Article
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Comment on “Heat capacity, enthalpy fluctuations, and configurational entropy in broken ergodic systems” [J. Chem. Phys. 133, 164503 (2010)] Academic Article
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Comments on fluorescence methods for probing local deviations from lamellar packing Academic Article
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Commonalities in the Features of Cancer and Chronic Fatigue Syndrome (CFS): Evidence for Stress-Induced Phenotype Instability? Academic Article
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Communication: A case where the hard/soft acid/base principle holds regardless of acid/base strength Academic Article
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Communication: A tractable design for a thermal transistor Academic Article
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Communication: Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors Academic Article
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Communication: Kohn-Sham theory for excited states of Coulomb systems Academic Article
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Communication: Thermal rectification in liquids by manipulating the solid-liquid interface Academic Article
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Communication: Two types of flat-planes conditions in density functional theory Academic Article
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Comparing surface and bulk flow of a molecular glass former Academic Article
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Comparing the time invariant and time-variant dielectric relaxation data simulated for a macromolecules growth. Academic Article
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Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation Academic Article
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Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation Academic Article
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Competitive Adsorption of High Molecular Weight Kininogen and Fibrinogen from Binary Mixtures to Glass Surface Academic Article
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Competitive interactions of dextran sulfate with positively charged particles and polymers Academic Article
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Complete description of the interactions of a quadrupolar nucleus with a radiofrequency field. Implications for data fitting Academic Article
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Complex Micelles from Self-Assembly of ABA Triblock Copolymers in B-Selective Solvents Academic Article
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Composition dependence and the nature of endothermic freezing and exothermic melting Academic Article
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Composition effect on thermophobicity of ternary mixtures: An enhanced molecular dynamics method Academic Article
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Comprehensive Examination of Mesophases Formed by DMPC and DHPC Mixtures Academic Article
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Computational Analysis of the Crystal and Cryo-EM Structures of P-Loop Channels with Drugs Academic Article
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Computational approaches and sigma-hole interactions: general discussion Academic Article
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Computing Fukui functions without differentiating with respect to electron number. I. Fundamentals Academic Article
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Computing Fukui functions without differentiating with respect to electron number. II. Calculation of condensed molecular Fukui functions Academic Article
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Computing Second-Order Functional Derivatives with Respect to the External Potential Academic Article
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Computing the Fukui function from ab initio quantum chemistry: approaches based on the extended Koopmans’ theorem Academic Article
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Computing the chemical reaction path with a ray-based fast marching technique for solving the Hamilton-Jacobi equation in a general coordinate system Academic Article
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Computing tunneling paths with the Hamilton–Jacobi equation and the fast marching method Academic Article
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Conceptual DFT analysis of the regioselectivity of 1,3-dipolar cycloadditions: nitrones as a case of study Academic Article
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Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 1. Theory and Derivation of a General-Purpose Reactivity Indicator Academic Article
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Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 2. Application to Molecules Where Frontier Molecular Orbital Theory Fails Academic Article
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Conceptual density functional theory: status, prospects, issues Academic Article
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Conditional Deletion of AP-2β in the Periocular Mesenchyme of Mice Alters Corneal Epithelial Cell Fate and Stratification Academic Article
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Conductivity and dielectric relaxation in hydrated fused salts Academic Article
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Configurational and residual entropies of nonergodic crystals and the entropy’s behavior on glass formation Academic Article
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Configurational and vibrational entropies and molecular relaxation in supercooled water Academic Article
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Configurational specific heat of molecular liquids by modulated calorimetry Academic Article
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Confined self-assembly of cylinder-forming diblock copolymers: effects of confining geometries Academic Article
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Conformation of a tethered polymer in a leaky nanocavity Academic Article
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Conformation properties of buta-1,3-diene-1,4-diones (bisketenes): computational and photoelectron spectroscopic studies Academic Article
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Conformational change in fibrinogen desorbed from glass surface Academic Article
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Considerations on describing non-singlet spin states in variational second order density matrix methods Academic Article
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Cross-Linked Microcapsules Formed From Self-Deactivating Reactive Polyelectrolytes Academic Article
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Current Opinion in Colloid and Interface Science Journal
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Dedication of the Langmuir Special Issue in Honor of Robert L. Rowell Academic Article
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Density-functional theory calculations with correct long-range potentials Academic Article
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Dick Brundle - Publisher's note Academic Article
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Dynamically Cross-Linked Self-Assembled Thermoresponsive Microgels with Homogeneous Internal Structures Academic Article
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Electric field modulation of charge transfer processes in reaction centers of photosynthetic bacteria Academic Article
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Electrophoretic deposition of polyacrylic acid and composite films containing nanotubes and oxide particles Academic Article
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Electrophoretic deposition of polymers and proteins for biomedical applications Academic Article
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Electrophoretic deposition of polymethylmethacrylate and composites for biomedical applications Academic Article
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Electrophoretic deposition of tannic acid–polypyrrolidone films and composites Academic Article
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Electrostatic interaction models for ion binding to humic substances Conference Paper
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Electrostatic potentials of humic acid: Fluorescence quenching measurements and comparison with model calculations Conference Paper
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Electrostatic stability and instability of N equal charges in a circle Academic Article
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Emulsion/Surface Interactions from Quiescent Quartz Crystal Microbalance Measurements with an Inverted Sensor Academic Article
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End-to-end intramolecular quenching of aromatic ketone triplets in aqueous solutions of 2,6-di-(O-methyl)-cyclodextrins Academic Article
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Endothermic freezing on heating and exothermic melting on cooling Academic Article
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Enhanced Foamability of Sodium Dodecyl Sulfate Surfactant Mixed with Superspreader Trisiloxane-(poly)ethoxylate Academic Article
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Enhanced capacitive performance of MnO 2 - multiwalled carbon nanotube electrodes, prepared using lauryl gallate dispersant Academic Article
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Enhanced high-frequency molecular dynamics in the near-surface region of polystyrene thin films observed with β-NMR Academic Article
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Enhanced photoelectrochemical water splitting efficiency of hematite (α-Fe2O3)-Based photoelectrode by the introduction of maghemite (γ-Fe2O3) nanoparticles Academic Article
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Enthalpy relaxation of glassy water Academic Article
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Entropy of buckminsterfullerene at 0 K Academic Article
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Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys Academic Article
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Erratum: Kinetics of crystallizing D2O water near 150 K by Fourier transform infrared spectroscopy and a comparison with the corresponding calorimetric studies on H2O water [J. Chem. Phys. 103, 545 (1995)] Academic Article
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Erratum: Self‐consistent perturbation theory of nuclear spin‐coupling constants: Application to couplings involving fluorine Academic Article
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Erratum: “An estimate for the Gibbs energy of amorphous solid waters and differences between the low-density amorph and glassy water” [J. Chem. Phys. 112, 8573 (2000)] Academic Article
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Erratum: “Effect of mobile ions on the electric field needed to orient charged diblock copolymer thin films” [J. Chem. Phys. 143, 134902 (2015)] Academic Article
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Erratum: “Intramolecular vibrational redistribution in aromatic molecules. I. Eigenstate resolved CH stretch first overtone spectra of benzene” [J. Chem. Phys. 113, 10583 (2000)] Academic Article
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Erratum: “The Gibbs–Thomson effect and intergranular melting in ice emulsions: Interpreting the anomalous heat capacity and volume of supercooled water” [J. Chem. Phys. 107, 10154 (1997)] Academic Article
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Erratum: “Thermodiffusion in multicomponent hydrocarbon mixtures: Experimental investigations and computational analysis” [J. Chem. Phys. 131, 114505 (2009)] Academic Article
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Excited states deactivating exclusively through correlated electron tunneling Academic Article
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Excluded volume effects in compressed polymer brushes: A density functional theory Academic Article
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Expanding Role of Dopaminergic Inhibition in Hypercapnic Responses of Cultured Rat Carotid Body Cells: Involvement of Type II Glial Cells Academic Article
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Experimental and theoretical studies of the valence-shell dipole excitation spectrum and absolute photoabsorption cross section of hydrogen fluoride Academic Article
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Experimental and theoretical studies of the valence-shell dipole excitation spectrum of molecular fluorine Academic Article
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Experimental and theoretical study of S 2p and C 1s spectroscopy in CS2 Conference Paper
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Experimental evidence for the heat capacity maximum during a melt’s polymerization Academic Article
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Extended fine structure of gases by inelastic electron scattering Conference Paper
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Fast simulation of dynamic two-dimensional nuclear magnetic resonance spectra for systems with many spins or exchange sites Academic Article
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Foreword by Proceedings Editors Academic Article
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Glycerol–Silicone Elastomers as Active Matrices with Controllable Release Profiles Academic Article
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Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case Academic Article
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Going viral: Designing bioactive surfaces with bacteriophage Academic Article
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Good Cholesterol Gone Bad? HDL and COVID-19 Academic Article
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Grafting Acrylic Polymers from Flat Nickel and Copper Surfaces by Surface-Initiated Atom Transfer Radical Polymerization Academic Article
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Ground State of the C2 Molecule Academic Article
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Hamilton-Jacobi equation for the least-action/least-time dynamical path based on fast marching method Academic Article
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Heat capacity and entropy of an equilibrium liquid from Tg to 0 K, and examining the conjectures of an underlying thermodynamic transition Academic Article
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Heat capacity of tetrahydrofuran clathrate hydrate and of its components, and the clathrate formation from supercooled melt Academic Article
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Heat capacity of water in nanopores Academic Article
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Hierarchical, self-similar structure in native squid pen Academic Article
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High internal phase emulsion with double emulsion morphology and their templated porous polymer systems Academic Article
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High resolution EELS measurements of CO adsorption on Pt/Al2O3 model catalysts via impact scattering Academic Article
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High-Accuracy Relative Biological Effectiveness Values Following Low-Dose Thermal Neutron Exposures Support Bimodal Quality Factor Response with Neutron Energy Academic Article
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High-temperature dielectric relaxation in nylon 12 and the effects of annealing and absorbed water Academic Article
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Highly CO2/N2-Switchable Zwitterionic Surfactant for Pickering Emulsions at Ambient Temperature Academic Article
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Highly Porous Poly(high internal phase emulsion) Membranes with “Open-Cell” Structure and CO2-Switchable Wettability Used for Controlled Oil/Water Separation Academic Article
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Hirshfeld partitioning from non-extensive entropies Academic Article
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Hirshfeld-E Partitioning: AIM Charges with an Improved Trade-off between Robustness and Accurate Electrostatics Academic Article
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Hole nucleation in free-standing polymer membranes: the effects of varying molecular architecture Academic Article
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How morphology and surface crystal texture affect thermal stability of a metallic nanoparticle: the case of silver nanobelts and pentagonal silver nanowires Academic Article
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How pervasive is the Hirshfeld partitioning? Academic Article
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How reliable is the hard–soft acid–base principle? An assessment from numerical simulations of electron transfer energies Academic Article
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How to Compute the Fukui Matrix and Function for Systems with (Quasi-)Degenerate States Academic Article
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Hybrid particle–field molecular dynamics simulation for polyelectrolyte systems Academic Article
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Hydroxypropyl Guar−Borate Interactions with Tear Film Mucin and Lysozyme Academic Article
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Hypochlorite activated poly(N-isopropylacrylamide)-core poly(N-isopropylmethacrylamide)-shell microgels—An oxidant with the potential to kill cells Academic Article
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Idempotent density matrix derived from a local potential V(r) in terms of HOMO and LUMO properties Academic Article
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Imaging Hydrated Albumin on a Polystyrene−Poly(methyl methacrylate) Blend Surface with X-ray Spectromicroscopy Academic Article
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Imaging of surfaces by means of secondary electrons Academic Article
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Impact of Microgel Morphology on Functionalized Microgel−Drug Interactions Academic Article
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Impact of a Hyaluronic Acid-Grafted Layer on the Surface Properties of Model Silicone Hydrogel Contact Lenses Academic Article
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Impact of aqueous suspension drops onto non-wettable porous membranes: Hydrodynamic focusing and penetration of nanoparticles Academic Article
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Impact of confinement on proteins concentrated in lithocholic acid based organic nanotubes Academic Article
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Improved quantitative performance for a time-of-flight mass spectrometer using multi-ion coincidence detection and synchrotron light Conference Paper
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Improved solubilities of PAHs by multi-component Gemini surfactant systems with different spacer lengths Academic Article
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Improving catalytic converter performance by controlling the structural and redox properties of Zr-doped CeO2 nanorods supported Pd catalysts Academic Article
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In Vitro Biotransformation of Two Human CYP3A Probe Substrates and Their Inhibition during Early Zebrafish Development Academic Article
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In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity Academic Article
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In pursuit of negative Fukui functions: molecules with very small band gaps Academic Article
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In situ neutron reflectometry investigation of gold-chemisorbed PEO layers of varying chain density: Relationship of layer structure to protein resistance Academic Article
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Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atoms Academic Article
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Increased order and improved hole mobility in MEH-PPV thin films by removing shortest chains Academic Article
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Indices for predicting the quality of leaving groups Conference Paper
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Influence of Grafting Point Distribution on the Surface Structures of Y-Shaped Polymer Brushes in Solution Academic Article
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Influence of Hydrophobic Cross-Linkers on Carboxybetaine Copolymer Stimuli Response and Hydrogel Biological Properties Conference Paper
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Influence of Local Environment on Inner Shell Excitation Spectra, Studied by Electron and X-ray Spectroscopy and Spectromicroscopy Academic Article
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Influence of Particle Size on the Binding Activity of Proteins Adsorbed onto Gold Nanoparticles Academic Article
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Influence of Pseudocolloid Formation of Neptunium on its Migration in Geosphere Academic Article
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Influence of anionic and non-ionic surfactants on nanoparticle synthesis by solvent-free extrusion emulsification Academic Article
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Influence of chemical structure of bile acid dispersants on electrophoretic deposition of poly(vinylidene fluoride) and composites Academic Article
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Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods Academic Article
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Influence of neutron and heavy-ion irradiation on EPR spectra of CuGeO3 Conference Paper
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Influence of particle size on solid solution formation and phase interfaces in Li0.5FePO4 revealed by 31P and 7Li solid state NMR spectroscopy Academic Article
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Information Theory, the Shape Function, and the Hirshfeld Atom Academic Article
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Information theoretic properties from the quantum theory of atoms in molecules Academic Article
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Infrared Emission Spectra from a Carbon Furnace Academic Article
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Infrared double resonance spectroscopy of V‐T, R relaxation of HF(v=1): Direct measurement of the high‐J populations Academic Article
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Initial Hardness Response and Hardness Profiles in the Study of Woodward–Hoffmann Rules for Electrocyclizations Academic Article
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Injectable cationic traps and sticky bacterial emulsifiers: A safe alliance during diesel bioremediation Academic Article
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Inner and valence shell electronic excitation of dimethyl sulfoxide by electron energy loss and photoabsorption spectroscopies Academic Article
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Inner shell electron energy loss studies of HCN and C2N2 Academic Article
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Inner shell excitation and ionization of the monohalobenzenes Academic Article
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Inner shell excitation of CH 3F, CH 3Cl, CH 3Br and CH 3I by 2.5 keV electron impact Academic Article
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Inner shell excitation of SF6 by 2.5 keV electron impact Academic Article
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Inner shell excitation of glycine, glycyl-glycine, alanine and phenylalanine Conference Paper
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Inner shell excitation of thiophene and thiolane: Gas, solid, and monolayer states Academic Article
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Inner shell excitation spectroscopy of molecules using inelastic electron scattering Academic Article
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Inner shell excitation spectroscopy of transient molecules: HBS, HBO, and H3B3O3 Academic Article
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Inner shell spectroscopy of the carbon—sulfur bond Academic Article
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Inner- and valence-shell excitation of SF4 studied by photoabsorption and electron energy loss spectroscopy Academic Article
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Inner-shell electron energy loss spectroscopy of organometallic compounds Conference Paper
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Inner-shell electron energy-loss spectroscopy of SF6 at very high momentum transfer Academic Article
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Inner-shell excitation and EXAFS-type phenomena in the chloromethanes Academic Article
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Inner-shell excitation of PF3, PCl3, PCl2CF3, OPF3 and SPF3 Academic Article
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Inner-shell excitation of formaldehyde, acetaldehyde and acetone studied by electron impact Academic Article
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Inner-shell excitation of gas phase carbonates and α,γ-dicarbonyl compounds Academic Article
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Inner-shell excitation of η5-C5H5Co(CO)2 and related compounds studied by gas phase electron energy loss spectroscopy Academic Article
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Inner-shell excitation spectroscopy of peroxides Academic Article
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Inner-shell spectroscopies of solid and gaseous alkylidyne tricobalt nonacarbonyl complexes Academic Article
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Inner-shell spectroscopy of SF4: theory and experiment Academic Article
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Inner-shell spectroscopy of compounds containing Si-Si bonds: is there a localised, low-energy Si-Si resonance? Academic Article
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Inner‐shell excitations in weak‐bond molecules Academic Article
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Instability and thermal conductivity of pressure-densified and elastically altered orientational glass of Buckminsterfullerene Academic Article
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Interaction of IgG and albumin with functionalized silicas Academic Article
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Interaction of O2 with Pt(100) Academic Article
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Interaction of Surfactants with Poly(N-isopropylacrylamide) Microgel Latexes Academic Article
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Interaction of antithrombin III in purified solution and in plasma with insoluble modified polystyrene Academic Article
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Interaction of fibrinogen with solid surfaces of varying charge and hydrophobic—hydrophilic balance Academic Article
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Interaction of fibrinogen with solid surfaces of varying charge and hydrophobic—hydrophilic balance Academic Article
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Interaction of supercritical CO2 with alkyl-ammonium organoclays: Changes in morphology Academic Article
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Interactions of Apolipoproteins AI, AII, B and HDL, LDL, VLDL with Polyurethane and Polyurethane-PEO Surfaces Academic Article
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Interactions of Hydrophobically Modified Polyvinylamine with Pluronic Triblock Copolymer Micelles Academic Article
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Intergranular liquid in solids and premelting of ice Academic Article
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Intermolecular charge transfer in molecular crystals Academic Article
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International Journal of Chemical Kinetics Journal
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International Journal of Molecular Sciences Journal
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International Journal of Quantum Chemistry Journal
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Interparticle Interactions Affecting the Stability of Sludge Flocs Academic Article
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Interpolating Hamiltonians in chemical compound space Academic Article
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Interpolation of property-values between electron numbers is inconsistent with ensemble averaging Academic Article
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Intramolecular motion in the tert-butyl radical as studied by muon spin rotation and level-crossing spectroscopy Academic Article
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Intramolecular vibrational redistribution in aromatic molecules. I. Eigenstate resolved CH stretch first overtone spectra of benzene Academic Article
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Intrinsic mobility of molecular glasses Academic Article
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Introduction to the Special Issue on Advances in Vacuum Ultraviolet and X-ray Physics Academic Article
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Introduction to the special issue on scattering, coincidence and absorption studies of molecules Academic Article
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Introduction: Special issue on radiation damage Academic Article
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Investigating Autism-Related Symptoms in Children with Prader-Willi Syndrome: A Case Study Academic Article
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Investigating electrochemical removal of bacterial biofilms from stainless steel substrates Academic Article
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Investigating the Synergistic Interactions of Surface Immobilized and Free Natural Ocular Lubricants for Contact Lens Applications: A Comparative Study between Hyaluronic Acid and Proteoglycan 4 (Lubricin) Academic Article
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Investigation of coordination changes in substituted transition-metal oxides by K-edge XANES: Beyond the pre-edge Academic Article
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Investigation of splashing phenomena during the impact of molten sub-micron gold droplets on solid surfaces Academic Article
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Investigation of the thermal motion of surface atoms by low-energy ion scattering Academic Article
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Ionic Liquid Nanotribology: Stiction Suppression and Surface Induced Shear Thinning Academic Article
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Ionic effects on the dielectric behaviour of liquid and glassy states of butane-1, 3-diol and glycerol Academic Article
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Ionic fragmentation of C 1s excited and ionized formic acid Academic Article
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Ionic fragmentation of carbon 1s excited metallocenes Academic Article
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Ionic fragmentation of inner shell excited states of CO 2 and N 2 O Academic Article
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Ionic fragmentation of inner-shell excited molecules Conference Paper
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Ionic liquid nanotribology: mica–silica interactions in ethylammonium nitrate Academic Article
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Ionic photofragmentation of SO2 in the sulfur 2p and 2s regions Conference Paper
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Ionization current detection of soft X-ray photoabsorption: Sulfur and chlorine k-shell spectra of SO2F2, SO2FCl and SO2Cl2 Academic Article
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Ionized impurity induced photocarrier generation in organic energy conversion systems Academic Article
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Iron oxyhydroxide colloid formation by gamma-radiolysis Academic Article
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Isomeric distonic and H-bridged [C2H6O]+ radical cations Academic Article
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Isomeric sensitivity of the C 1s spectra of xylenes Academic Article
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Isotope and impurity effects on the glass transition and crystallization of pressure‐amorphized hexagonal and cubic ice Academic Article
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Isotope effect on the glass transition and crystallization of hyperquenched glassy water Academic Article
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Isotope effects on intensities in the K-shell excitation spectra of CH4 and CD4 studied by 2.5 keV electron impact Academic Article
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Isotopic disorder as a limiting factor for the mobility of charge carriers Academic Article
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Israel Journal of Chemistry Journal
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Joint treatment of the experimental data on the temperature dependences of heat capacities and enthalpies Academic Article
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Journal of Applied Spectroscopy Journal
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Journal of Chemical Physics Journal
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Journal of Chemical Theory and Computation Journal
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Journal of Colloid and Interface Science Journal
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Journal of Computational Chemistry Journal
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Journal of Dispersion Science and Technology Journal
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Journal of Electron Spectroscopy and Related Phenomena Journal
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Journal of Fluorescence Journal
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Journal of Mathematical Chemistry Journal
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Journal of Molecular Liquids Journal
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Journal of Molecular Modeling Journal
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Journal of Molecular Spectroscopy Journal
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Journal of Photochemistry and Photobiology A: Chemistry Journal
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Journal of Physical and Chemical Reference Data Journal
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Journal of Raman Spectroscopy Journal
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Journal of the Chemical Society - Faraday Transactions Journal
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K-shell excitation of HCN by electron energy loss spectroscopy Academic Article
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K-shell excitation spectra of CO, N2 and O2 Academic Article
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Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number Academic Article
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Kinetic coefficient of steps at the Si(111) crystal-melt interface from molecular dynamics simulations Academic Article
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Kinetic oscillations in oxidation of CO over Pt(100): A study by Rutherford backscattering, nuclear microanalysis, LEED, and work function techniques Academic Article
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Kinetic-freezing and unfreezing of local-region fluctuations in a glass structure observed by heat capacity hysteresis Academic Article
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Kinetics of crystallizing D2O water near 150 K by Fourier transform infrared spectroscopy and a comparison with the corresponding calorimetric studies on H2O water Academic Article
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Kinetics of lamellar formation on sparsely stripped patterns Academic Article
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Kinetics of nonisothermal reduction and carburization of WO
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Kinetics of spontaneous change in the localized motions of D-sorbitol glass Academic Article
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Kinetics of yeast detachment from controlled stainless steel surfaces Academic Article
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Kohn–Sham exchange-correlation potentials from second-order reduced density matrices Academic Article
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K‐shell spectroscopy of Ar clusters Academic Article
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Langmuir Journal
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Laser determinations of ‘‘hot band’’ quantum yields: Br*(2P1/2) formation in the continuum absorption of Br2 at 510–550 nm Academic Article
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Legendre-transform functionals for spin-density-functional theory Academic Article
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Librational heat capacity of fullerenes in the Einstein model Academic Article
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Lifetime measurements with fullerene ions in a heavy-ion storage ring Academic Article
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Light induced fluorescence enhancement in MEH-PPV thin films Academic Article
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Light-ion neutralization behavior in the 25 to 150 keV range using a medium-energy ion-reflection spectrometer Academic Article
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Linear Inequalities for Diagonal Elements of Density Matrices Book
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Linear and nonlinear spectroscopy at a cesium vapour/dielectric interface using a semiconductor laser Academic Article
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Linear intensity dependence of photo-induced field emission from tungsten Academic Article
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Linearized Coupled Cluster Correction on the Antisymmetric Product of 1-Reference Orbital Geminals Academic Article
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Liquid Cell Transmission Electron Microscopy Sheds Light on The Mechanism of Palladium Electrodeposition Academic Article
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Liquid Disordered–Liquid Ordered Phase Coexistence in Lipid/Cholesterol Mixtures: A Deuterium 2D NMR Exchange Study Academic Article
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Liquid crystalline bilayers self-assembled from rod–coil diblock copolymers Academic Article
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Liquid dewetting under a thin elastic film Academic Article
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Local and linear chemical reactivity response functions at finite temperature in density functional theory Academic Article
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Local and nonlocal counterparts of global descriptors: the cases of chemical softness and hardness Academic Article
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Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory Academic Article
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Local hardness equalization: Exploiting the ambiguity Academic Article
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Local kinetic energy and local temperature in the density-functional theory of electronic structure Academic Article
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Localized excess negative charges in surface states of the clean Ga-rich GaAs(100)c(8×2)/4×2 reconstruction as imaged by scanning tunneling microscopy Academic Article
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Localized motions and the loss of chemical and physical metastabilities during ageing of amorphous polymers studied by dielectric measurements Academic Article
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Localized relaxation in a glass and the minimum in its orientational polarization contribution Academic Article
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Localized relaxations in the glassy states of several molecular materials before and after their polymerization Academic Article
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Localized relaxation’s strength and its mimicry of glass-softening thermodynamics Academic Article
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Long time tails in canonical ensemble unimolecular decay Academic Article
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Long time wave packet dynamics from energy eigenfunctions: Nonuniform energy resolution via adaptive bisection fast Fourier transformation Academic Article
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Longitudinal static optical properties of hydrogen chains: Finite field extrapolations of matrix product state calculations Academic Article
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Low energy Auger electron spectroscopy of titanium nitrides for quantitative analysis Academic Article
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Low energy Auger electron spectroscopy of vanadium nitrides Academic Article
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Low field63Cu NMR study of indirect nuclear spin-spin coupling in YBa2Cu3O6.9. A new approach to probe strong correlation effects in high-T c superconductors Academic Article
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Low molecular weight silicones particularly facilitate human serum albumin denaturation Academic Article
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Low-energy excitations of guest molecules in clathrates and the Boson peak Academic Article
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Low-frequency molecular relaxations in disordered solids Academic Article
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Luminescence of benzonitrile, monodeuterobenzonitriles, and perdeuterobenzonitrile at 77°K in polycrystalline matrices Academic Article
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Lysozyme-stabilized gold nanoclusters as a novel fluorescence probe for cyanide recognition Academic Article
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MMP9 Differentially Regulates Proteins Involved in Actin Polymerization and Cell Migration during TGF-β-Induced EMT in the Lens Academic Article
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Macrophage Function and the Role of GSK3 Academic Article
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Magnetic Field Landscapes Guiding the Chemisorption of Diamagnetic Molecules Academic Article
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Mapping Quantum Chemical Dynamics Problems to Spin-Lattice Simulators Academic Article
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Materials analyses and electrochemical impedance of implantable metal electrodes Academic Article
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Measurement of protein adsorption kinetics by an in situ, “real-time,” solution depletion technique Academic Article
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Measurement of protein adsorption to gold surface by radioiodination methods: suppression of free iodide sorption Academic Article
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Measurement of protein adsorption to metals using radioiodination methods: a caveat Academic Article
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Measurements on thermodiffusion in ternary hydrocarbon mixtures at high pressure Academic Article
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Mechanical properties of 2D aggregates of oil droplets as model mono-crystals Academic Article
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Mechanism of Self-Assembly and Rupture of Cross-Linked Microspheres and Microgels at the Oil−Water Interface Academic Article
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Mechanisms of PD-L1 Regulation in Malignant and Virus-Infected Cells Academic Article
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Mechanisms of radiation-induced surface composition modification in VCr alloys at high and low temperature Academic Article
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Melatonin and Hippo Pathway: Is There Existing Cross-Talk? Academic Article
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Method for Studying Immunoglobulin G Binding on Hydrophobic Surfaces Academic Article
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Method for making 2-electron response reduced density matrices approximatelyN-representable Academic Article
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Methods for finding transition states on reduced potential energy surfaces Academic Article
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Microbe-Immune Crosstalk: Evidence That T Cells Influence the Development of the Brain Metabolome Academic Article
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Microbiota-Immune Interactions in Ulcerative Colitis and Colitis Associated Cancer and Emerging Microbiota-Based Therapies Academic Article
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Microfluidic production of degradable thermoresponsive poly(N-isopropylacrylamide)-based microgels Academic Article
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Microgel Adhesives for Wet Cellulose: Measurements and Modeling Academic Article
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Micromechanics: A New Approach to Studying the Strength and Breakup of Flocs Academic Article
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Micropatterning of Phase-Segregated Supported Lipid Bilayers and Binary Lipid Phases through Polymer Stencil Lift-Off Academic Article
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Microphase separation induced by differential interactions in diblock copolymer/homopolymer blends Academic Article
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Microvesicles Contribute to the Bystander Effect of DNA Damage Academic Article
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Microwave absorption and molecular structure. LXXXII. The dielectric relaxation mechanisms of benzyl‐ and benzoylpyridines Academic Article
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Mimicking the fibrinolytic system on material surfaces Academic Article
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Mineral-mineral particle collisions during flotation remove adsorbed nanoparticle flotation collectors Academic Article
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Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development Academic Article
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Minimizing the effects of RF inhomogeneity and phase transients allows resolution of two peaks in the 1H CRAMPS NMR spectrum of adamantane Academic Article
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Minimum number of turbidity measurements required for the determination of particle size distributions Academic Article
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Modification of Polyurethane Surface with an Antithrombin–Heparin Complex for Blood Contact: Influence of Molecular Weight of Polyethylene Oxide Used as a Linker/Spacer Academic Article
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Modifying thermal transport in electrically conducting polymers: Effects of stretching and combining polymer chains Academic Article
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Molecular Orbital Theory for Infinite Systems: Hydrogen‐Bonded Molecular Crystals Academic Article
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Molecular Physics Journal
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Molecular Simulation Journal
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Molecular Structure of Interfacial Human Meibum Films Academic Article
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Molecular alignment as a penalized permutation Procrustes problem Academic Article
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Molecular dynamics and reaction kinetics during the network structure formation of a diepoxide and diamine mixture under high pressures using dielectric measurements Academic Article
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Molecular dynamics modeling of lithium ion intercalation induced change in the mechanical properties of LixMn2O4 Academic Article
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Molecular environment effects on polymerization rates in diepoxide–binary amines compositions by dielectric studies Academic Article
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Molecular kinetics during the growth of the macromolecule poly(di-2-hydroxypropyl ether of bisphenol-A–n-hexylamine) studied by dielectric spectroscopy Academic Article
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Molecular kinetics in amorphous solids Academic Article
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Molecular orbital calculations for the HF crystal Academic Article
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Molecular orbital studies on ice-II Academic Article
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Molecular orbital theory for infinite molecular aggregates: Application to idealized hexagonal and cubic ices Academic Article
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Molecular orbital theory for nonregular polymer chains: Distortions of an infinite chain of hydrogen molecules Academic Article
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Molecular orbital theory of nuclear spin coupling constants Academic Article
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Molecular simulation for predicting the rheological properties of polymer melts Conference Paper
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Molecular simulation of thermal transport across hydrophilic interfaces Academic Article
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Molecular simulations of thermal transport across interfaces: solid–vapour and solid–solid Academic Article
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Molecular weight dependence of near surface dynamical mechanical properties of polymers Academic Article
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Molecular‐Orbital Theory for Infinite Systems: Regular Polymer Chains Academic Article
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Monitoring Solute Interactions with Poly(ethylene oxide)-Modified Colloidal Silica Nanoparticles via Fluorescence Anisotropy Decay Academic Article
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Monte Carlo sampling for atomic and molecular clusters with fixed energy and angular momentum Academic Article
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Monte Carlo simulation of sequential decay processes: Application to argon cluster evaporation at zero pressure Academic Article
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Monte-Carlo simulations of polymer crystallization in dilute solution Academic Article
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Moving least-squares enhanced Shepard interpolation for the fast marching and string methods Academic Article
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Multi-scale modeling and synthesis of polyester ionomers Academic Article
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Multiple droplets on a conical fiber: formation, motion, and droplet mergers Academic Article
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Muon level-crossing spectroscopy of organic free radicals Academic Article
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Mutant p53 Protein and the Hippo Transducers YAP and TAZ: A Critical Oncogenic Node in Human Cancers Academic Article
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Mössbauer spectroscopy of KrF2 and KrF2· MF5 (M=As, Sb) Academic Article
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Mössbauer spectroscopy of KrF2 and KrF2⋅MF5 (M=As, Sb) Academic Article
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N-Chlorinated Poly(N-isopropylacrylamide) Microgels Academic Article
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NEXAFS spectromicroscopy of polymers: overview and quantitative analysis of polyurethane polymers Academic Article
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NMR crystallography of p-tert-butylcalix[4]arene host–guest complexes using 1H complexation-induced chemical shifts Academic Article
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NMR studies of the superconducting state of copper oxide superconductors Academic Article
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Nano-encapsulated smart tunable phase change materials Academic Article
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Nanodomains within bicontinuous silicone/water microemulsions retard TiO 2 nanoparticle aggregation Academic Article
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Nanogels and Microgels: From Model Colloids to Applications, Recent Developments, and Future Trends Academic Article
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Nanoparticle Flotation Collectors II: The Role of Nanoparticle Hydrophobicity Academic Article
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Nanoparticle Flotation Collectors: Mechanisms Behind a New Technology Academic Article
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Nanosecond lipid dynamics in membranes containing cholesterol Academic Article
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Natural orbital Fukui function and application in understanding cycloaddition reaction mechanisms Academic Article
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Nature of the pressure-induced collapse of an ice clathrate by dielectric spectroscopy Academic Article
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Near infrared 3ν2 overtone band of H+3 Academic Article
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Nearly Monodisperse Silica Microparticles Form in Silicone (Pre)elastomer Mixtures Academic Article
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Necessary conditions for theN-representability of pair distribution functions Academic Article
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Neutral products of ion fragmentations: HCN and HNC identified by collisionally induced dissociative ionization Academic Article
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New Fukui, dual and hyper-dual kernels as bond reactivity descriptors Academic Article
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New colloidal route for electrostatic assembly of oxide nanoparticle – carbon nanotube composites Academic Article
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New developments in liquid-liquid extraction, surface modification and agglomerate-free processing of inorganic particles Academic Article
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New features in the low energy Auger spectra of the nitrides of titanium and vanadium Academic Article
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New strategy of nanolithographyvia controlled block copolymerself-assembly Academic Article
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Newton trajectories for finding stationary points on molecular potential energy surfaces Academic Article
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Nine questions on energy decomposition analysis Academic Article
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Niobium pentoxide and hydroxyapatite particle loaded electrospun polycaprolactone/gelatin membranes for bone tissue engineering Academic Article
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Non-empirical molecular orbital theory of the electronic structure of molecular crystals Academic Article
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Non-exponential nature of calorimetric and other relaxations: Effects of 2 nm-size solutes, loss of translational diffusion, isomer specificity, and sample size Academic Article
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Non-exponential relaxation, fictive temperatures, and dispersive kinetics in the liquid-glass-liquid transition range of acetaminophen, sulfathiazole, and their mixtures Academic Article
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Non-normal Lanczos methods for quantum scattering Academic Article
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Nonempirical molecular orbital calculations for hydrogen bonded molecular solids: Molecular dipole and quadrupole moments for solid HF and HCl Academic Article
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Nonequilibrium molecular dynamics simulation for studying the effect of pressure difference and periodic boundary conditions on water transport through a CNT membrane Academic Article
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Nonequilibrium molecular dynamics simulation of pressure-driven water transport through modified CNT membranes Academic Article
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Nonequilibrium molecular dynamics simulation of water transport through carbon nanotube membranes at low pressure Academic Article
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Nonstatistical inversion dynamics of T‐shaped Ar3 Academic Article
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Nonstatistical inversion dynamics of T‐shaped Ar3. II. Separatrix transition states Academic Article
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Nonstatistical unimolecular decay in quasiperiodic systems Academic Article
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Nonuniqueness of magnetic fields and energy derivatives in spin-polarized density functional theory Academic Article
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Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function Academic Article
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Normal coordinate analysis of the Raman and infrared vibrations of the alpha phases of RE2O3 (RELa, Pr, Nd) and RE2O2S (RELa and Yb) Academic Article
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Not All Anionic Polyelectrolytes Complex with DTAB Academic Article
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Note: Effects of adding a viscosity-increasing 2 nm-size molecule on dielectric relaxation features and the dynamic heterogeneity view Academic Article
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Note: Effects of polydispersity on the phase behavior of AB diblock and BAB triblock copolymer melts: A dissipative particle dynamics simulation study Academic Article
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Note: Maximum hardness and minimum electrophilicity principles Academic Article
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Note: Molecular architecture dependent hydrogen-bonded motifs, entropy change, and dielectric permittivity of alcohols Academic Article
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Novel high performance reduced graphene oxide based nanocatalyst decorated with Rh2O3/Rh-NPs for CO2 photoreduction Academic Article
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Nuclear Magnetic Resonance Study of V2O5 Academic Article
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Nuclear Spin Conversion in CH4by Neutron Scattering Academic Article
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Nucleation of stable cylinders from a metastable lamellar phase in a diblock copolymer melt Academic Article
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Numerical integration of exchange-correlation energies and potentials using transformed sparse grids Academic Article
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Numerical simulation of phase separation coupled with crystallization Academic Article
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Nurr1 Is Not an Essential Regulator of BDNF in Mouse Cortical Neurons Academic Article
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O-protonated sulfine CH2=S=OH+. Its generation from ionized dimethylsulfoxide by delayed dissociation Academic Article
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Observation of multiple step de-excitation in luminescent single conjugated polymers Academic Article
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Observation of the 3ν2 ← 0 overtone band of H3+ Academic Article
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On formulating ophthalmic emulsions Academic Article
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On the Formation of Colloidally Dispersed Phase-Separated Poly(N-isopropylacrylamide) Academic Article
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On the Role of Hydrophobic Particles and Surfactants in Defoaming Academic Article
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On the amorphization of hexagonal ice, the nature of water's low-density amorph, and the continuity of molecular kinetics in supercooled water Academic Article
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On the applicability of local softness and hardness Academic Article
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On the entropy equations for a liquid’s relaxation time at high pressures Academic Article
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On the evolution of relaxation processes during the formation of a macromolecule Academic Article
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On the importance of the “density per particle” (shape function) in the density functional theory Academic Article
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On the impossibility of unambiguously selecting the best model for fitting data Academic Article
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On the joint treatment of the experimental data on the temperature dependences of heat capacities and enthalpies Academic Article
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On the notion of “1∕f noise” and data analysis for glassy water Academic Article
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On the state of water in 2.4 nm cylindrical pores of MCM from dynamic and normal specific heat studies Academic Article
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On the use of relaxation times for comparing ultraviscous liquid dynamics Academic Article
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On the λ-state of nitrogen on tungsten surfaces Academic Article
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On using the anisotropy in the thermal resistance of solid–fluid interfaces to more effectively cool nano-electronics Academic Article
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On-Line Particle Diameter for Poly(Vinyl Acetate) Latex Using Specific Turbidity Method Academic Article
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One-step preparation of gold nanovectors using folate modified polyethylenimine and their use in target-specific gene transfection Academic Article
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One-step surface modification strategy with composition-tunable microgels: From bactericidal surface to cell-friendly surface Academic Article
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Optical birefringence in the solid isotopic methanes Academic Article
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Optimization of analysis of soft X-ray spectromicroscopy at the Ca 2p edge Academic Article
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Optimizing the Acquisition and Analysis of Confocal Images for Quantitative Single-Mobile-Particle Detection Academic Article
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Optochemical Organization in a Spatially Modulated Incandescent Field: A Single-Step Route to Black and Bright Polymer Lattices Academic Article
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Orbital energies and nuclear forces in
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Ordered alloy films of Ni and Mn grown on Ni(111)/W(110) Academic Article
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Ordering kinetics of block copolymers directed by periodic two-dimensional rectangular fields Academic Article
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Organic photovoltaics and energy: general discussion Academic Article
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Orientation polarization from faster motions in the ultraviscous and glassy diethyl phthalate and its entropy Academic Article
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Oriented crystallization of ultra-thin (2 nm) gold nanoplatelets inside a reactive hydrophobic polymeric matrix Academic Article
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Origin of epitaxies between ordered phases of block copolymers Academic Article
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Origin of the enthalpy features of water in 1.8 nm pores of MCM-41 and the large Cp increase at 210 K Academic Article
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Origins of Spin Noise Conference Paper
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Oxygen K-shell excitation spectroscopy of hydrogen peroxide Academic Article
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Oxygen and Carbon Dioxide Dual Gas-Responsive and Switchable Microgels Prepared from Emulsion Copolymerization of Fluoro- and Amino-Containing Monomers Academic Article
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P 1s spectroscopy of SPF3: spectral assignments aided by angle-resolved photodissociation Academic Article
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PEO Flocculation of Polystyrene-Core Poly(vinylphenol)-Shell Latex: An Example of Ideal Bridging Academic Article
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PEO Flocculation with Phenolic Microparticles Academic Article
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Pan-Lysyl Oxidase Inhibitor PXS-5505 Ameliorates Multiple-Organ Fibrosis by Inhibiting Collagen Crosslinks in Rodent Models of Systemic Sclerosis Academic Article
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Particle sizes and electrophoretic mobilities of poly(N-isopropylacrylamide) latex Academic Article
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Partitioning of caffeine in lipid bilayers reduces membrane fluidity and increases membrane thickness Academic Article
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Partitioning of ethanol into lipid membranes and its effect on fluidity and permeability as seen by X-ray and neutron scattering Academic Article
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Partitioning of the molecular density matrix over atoms and bonds Academic Article
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Passivation of Plasmonic Colors on Bulk Silver by Atomic Layer Deposition of Aluminum Oxide Academic Article
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Patchy nanoparticles self-assembled from linear triblock copolymers under spherical confinement: a simulated annealing study Academic Article
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Pathways connecting two opposed bilayers with a fusion pore: a molecularly-informed phase field approach Academic Article
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Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory Academic Article
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Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods Academic Article
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Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity" Academic Article
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Perturbative perspectives on the chemical reaction prediction problem Conference Paper
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Perturbed Angular Correlation Study of the Environment of 111Cd Nuclei in Ice Academic Article
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Phase Behavior of Binary Blends of Diblock Copolymer/Homopolymer Confined in Spherical Nanopores Academic Article
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Phase Separation and Fractal Domain Formation in Phospholipid/Diacetylene-Supported Lipid Bilayers Academic Article
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Phase behavior of semiflexible-coil diblock copolymers: a hybrid numerical SCFT approach Academic Article
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Phase behaviors and ordering dynamics of diblock copolymer self-assembly directed by lateral hexagonal confinement Academic Article
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Phase equilibria in DOPC/DPPC: Conversion from gel to subgel in two component mixtures Academic Article
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Phase transition and entropy of amorphous ices Academic Article
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Phenomenology and mechanism of the transient adsorption of fibrinogen from plasma (Vroman effect) Academic Article
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Phenomenology of addition polymerization Academic Article
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Phosphonic anchoring groups in organic dyes for solid-state solar cells Academic Article
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Phosphorescence lifetimes of halogen monosubstituted phenylacetylenes Academic Article
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Photocatalytic paper from colloidal TiO2—fact or fantasy Academic Article
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Photochemical separation and co-precipitation of lanthanides in nitric acid solution Conference Paper
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Photochemistry of benzophenone in micelles. Phosphorescence emission from aromatic ketones in micellar solution Academic Article
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Photoelectron spectroscopy and density functional calculations of FenBO2− clusters Academic Article
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Photoelectron study of the valence level cross sections of XeF2 from 21 to 50 eV photon energy Academic Article
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Photoenhanced ozone loss on solid pyrene films Academic Article
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Photofield emission spectroscopy of surface electronic states of tungsten Academic Article
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Photoflocculation of TiO2 Microgel Mixed Suspensions Academic Article
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Photofragmentation of OCS at the S 1s edge Conference Paper
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Photon-stimulated desorption of Na atoms from NaCl following core-level excitation Academic Article
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Photophysical properties of dibenzotropylium cation incorporated within acidic ZSM-5 zeolite Academic Article
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Photo‐ and Radiation‐Induced cis—trans Isomerization of Several 2‐Olefins Academic Article
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Physical Chemistry Chemical Physics Journal
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Physico-chemical aspects of dielectric and thermodynamic changes during high-temperature polymerization and their technical use Academic Article
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Physics of linear-chain and network polymerization by dielectric spectroscopy Academic Article
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Pickering Emulsion Templated Interfacial Atom Transfer Radical Polymerization for Microencapsulation Academic Article
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Pickering Emulsion Templated Layer-by-Layer Assembly for Making Microcapsules Academic Article
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Picosecond fluorescence spectroscopy with a CW laser and a radio — a simple technique Academic Article
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Plasminogen Adsorption to Sulfonated and Lysine Derivatized Model Silica Glass Materials Academic Article
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Plasmonics Journal
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Plateau-Rayleigh instability in a torus: formation and breakup of a polymer ring Academic Article
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Pointing the way to the products? Comparison of the stress tensor and the second-derivative tensor of the electron density Academic Article
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Polarization dependence of photoexcitation in photofield emission Academic Article
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Polarization dependence of the Si K-edge X-ray absorption spectra of Si-Ge atomic layer superlattices Academic Article
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Poly(N-isopropylacrylamide) Microgels at the Air−Water Interface Academic Article
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Poly(N-isopropylacrylamide) at the Air/Water Interface Academic Article
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Poly(N-isopropylacrylamide) (PNIPAM) is never hydrophobic Academic Article
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Poly(N-isopropylacrylamide) Latices Prepared with Sodium Dodecyl Sulfate Academic Article
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Polyelectrolyte complex characterization with isothermal titration calorimetry and colloid titration Academic Article
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Polymer Assembly Exploiting Three Independent Interactions Academic Article
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Polystyrene latex deposition onto polyethylene film consecutively treated with cationic and anionic polymer Academic Article
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Polyvinylamine-g-galactose is a route to bioactivated silica surfaces Academic Article
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Polyvinylamine: A Tool for Engineering Interfaces Academic Article
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Polyvinylamine−Phenylboronic Acid Adhesion to Cellulose Hydrogel Academic Article
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Position-dependent energy of molecules in nano-confined water Academic Article
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Potentialphilicity and potentialphobicity: Reactivity indicators for external potential changes from density functional reactivity theory Academic Article
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Precise regulation of particle size of poly(N-isopropylacrylamide) microgels: Measuring chain dimensions with a “molecular ruler” Academic Article
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Predicting optimal finite field strengths for calculating the first and second hyperpolarizabilities using simple molecular descriptors Academic Article
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Predicting the reactivity of ambidentate nucleophiles and electrophiles using a single, general-purpose, reactivity indicator Academic Article
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Predicting the size of droplets produced through Laplace pressure induced snap-off Academic Article
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Preface Conference Paper
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Preface Chapter
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Preface Academic Article
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Preferential ion and water intake using charged carbon nanotubes Academic Article
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Preparation and characterization of polystyrene–poly(p-acetoxystyrene) and polystyrene–poly(p-vinylphenol) composite latex particles Academic Article
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Preparation and entrapment of fluorescently labeled proteins for the development of reagentless optical biosensors Academic Article
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Preparation of N2/CO2 Triggered Reversibly Coagulatable and Redispersible Latexes by Emulsion Polymerization of Styrene with a Reactive Switchable Surfactant Academic Article
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Pressure-induced collapse of ice clathrate and hexagonal ice mixtures formed by freezing Academic Article
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Preventing the release of copper chlorophyllin from crop spray deposits on hydrophobic surfaces Academic Article
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Prevention of Thrombogenesis from Whole Human Blood on Plastic Polymer by Ultrathin Monoethylene Glycol Silane Adlayer Academic Article
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Principal characteristics of a bubble formation on a horizontal downward facing surface Academic Article
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ProNGF, but Not NGF, Switches from Neurotrophic to Apoptotic Activity in Response to Reductions in TrkA Receptor Levels Academic Article
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Probing local structures of siliceous zeolite frameworks by solid-state NMR and first-principles calculations of 29Si–O–29Si scalar couplings Academic Article
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Probing platinum degradation in polymer electrolyte membrane fuel cells by synchrotron X-ray microscopy Academic Article
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Probing the Hydration of Ultrathin Antifouling Organosilane Adlayers using Neutron Reflectometry Academic Article
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Probing the Local Structure of Pure Ionic Liquid Salts with Solid- and Liquid-State NMR Academic Article
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Progress in Surface Science Journal
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Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal Academic Article
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Properties of Poly(N-isopropylacrylamide)-Grafted Colloidal Silica Academic Article
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Proposed New Mechanism for the Decomposition of Ammonia on Tungsten Academic Article
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Protein Adsorption and Cell Adhesion/Detachment Behavior on Dual-Responsive Silicon Surfaces Modified with Poly(N-isopropylacrylamide)-block-polystyrene Copolymer Academic Article
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Protein Resistance of Surfaces Prepared by Sorption of End-Thiolated Poly(ethylene glycol) to Gold: Effect of Surface Chain Density Academic Article
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Protein repellent polyurethane-urea surfaces by chemical grafting of hydroxyl-terminated poly(ethylene oxide): effects of protein size and charge Academic Article
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Protein resistant polyurethane surfaces by chemical grafting of PEO: amino-terminated PEO as grafting reagent Academic Article
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Protein-Based Aqueous−Multiphasic Systems Academic Article
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Protein-Resistant Poly(ethylene oxide)-Grafted Surfaces: Chain Density-Dependent Multiple Mechanisms of Action Academic Article
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Protein-resistant polyurethane prepared by surface-initiated atom transfer radical graft polymerization (ATRgP) of water-soluble polymers: Effects of main chain and side chain lengths of grafts Academic Article
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Protein−Silicone Interactions: How Compatible Are the Two Species? Academic Article
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Protein−Silicone Synergism at Liquid/Liquid Interfaces Academic Article
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Pulsed photoconductivity action spectra of β‐metalfree phthalocyanine thin films Academic Article
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Quantifying Surface Coverage of Colloidal Silica by a Cationic Peptide Using a Combined Centrifugation/Time-Resolved Fluorescence Anisotropy Approach Academic Article
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Quantitative auger electron analysis of titanium nitrides Academic Article
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Quantitative structural determination using spin-polarized low-energy electron diffraction rotation curves: W(110) Academic Article
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Quantum Decay at Long Times Chapter
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Quantum topological resolution of catalyst proficiency Academic Article
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Quartz crystal microbalance study of protein adsorption kinetics on poly(2-hydroxyethyl methacrylate) Academic Article
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Quasi-Newton parallel geometry optimization methods Academic Article
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Quasi-elastic electron scattering from atoms and molecules Conference Paper
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Quasielastic electron scattering from methane, methane-d4, methane-d2, ethylene, and 2-methylpropane Academic Article
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Quenching Studies of Hydrophobically-Modified Poly(N-isopropylacrylamides) Academic Article
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Radiation damage in soft X-ray microscopy Academic Article
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Radiation damage yields across the carbon 1s excitation edge Academic Article
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Radiationless Transitions and Deuterium Effect on Fluorescence Lifetimes of Some Aromatic Hydrocarbons Academic Article
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Radiationless Transitions and Deuterium Effect on Luminescence of Some Aromatics Academic Article
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Raman spectra of tetrathiofulvalene (TTF) Academic Article
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Random and Graft Cationic Polyacrylamide Microgel Flocculants Academic Article
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Rationalization of Diels–Alder reactions through the use of the dual reactivity descriptor Δf(r) Academic Article
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Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory Academic Article
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Real time dielectric spectroscopy and bond connectivity during polymerization of stoichiometric and amine-rich, diepoxide–diamine compositions Academic Article
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Real-space self-consistent mean-field theory study of ABC star triblock copolymers Academic Article
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ReaxFF Molecular Dynamics Simulation for the Graphitization of Amorphous Carbon: A Parametric Study Academic Article
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Recombination Lifetime of Laser‐Stimulated Recombination Luminescence in a Rigid Organic Solution Academic Article
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Regulating block copolymer phases via selective homopolymers Academic Article
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Relating Redox Properties of Polyvinylamine-g-TEMPO/Laccase Hydrogel Complexes to Cellulose Oxidation Academic Article
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Relationship between spatial structure and pharmacological activity of a series of ?-adrenomimetics Academic Article
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Relationships between the third-order reactivity indicators in chemical density-functional theory Academic Article
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Relative reactivity of arsenic and gallium dimers and backbonds during the adsorption of molecular oxygen on GaAs(100)(6×6) Academic Article
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Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties Academic Article
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Relaxation and crystallization of water in a hydrogel Academic Article
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Relaxation during polymerization on slow heating and the vibrational heat capacity of the polymers Academic Article
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Relaxation rates in chaotic and quasiperiodic systems Academic Article
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Relaxation strength of localized motions in D-sorbitol and mimicry of glass-softening thermodynamics Academic Article
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Relaxation time and elasticity during polymerization with DER 332 Academic Article
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Relaxations and nano-phase-separation in ultraviscous heptanol-alkyl halide mixture Academic Article
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Removal of Cd2+ from synthetic wastewater using micellar-enhanced ultrafiltration with hollow fiber membrane Academic Article
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Reorientation phenomena in imidazolium methyl sulfonate as probed by advanced solid-state NMR Academic Article
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Reply to the ‘Comment on “Revisiting the definition of local hardness and hardness kernel”’ by C. Morell, F. Guégan, W. Lamine, and H. Chermette, Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP04100D Academic Article
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Reply to “on the interpretation of level-crossing resonance results for the muonated ethyl radical” Academic Article
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Research on Chemical Intermediates Journal
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Residual dipolar coupling in the CP/MAS nuclear magnetic resonance spectra of spin-1/2 nuclei coupled to quadrupolar nuclei application of floquet theory Academic Article
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Resonances in the K shell excitation spectra of benzene and pyridine: Gas phase, solid, and chemisorbed states Academic Article
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Response to “Comment on ‘Kohn–Sham exchange-correlation potentials from second-order reduced density matrices’” [J. Chem. Phys. 145, 037101 (2016)] Academic Article
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Response to “Reply to the ‘Comment on “Cholesterol Solubility Limit in Lipid Membranes probed by Small Angle Neutron Scattering and MD Simulations by Ursula Perez-Salas, Soft Matter, 2014, 10, 9313–9317”’” Academic Article
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Reversal in the dielectric relaxation time during polymerization: Thermal energy compensation on macromolecular growth Academic Article
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Reversible Flocculation with Hydroxypropyl Guar−Borate, A Labile Anionic Polyelectrolyte Academic Article
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Revisiting the definition of local hardness and hardness kernel Academic Article
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Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures Academic Article
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Richardson–Gaudin mean-field for strong correlation in quantum chemistry Academic Article
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Risk Factors for Unhealthy Weight Gain and Obesity among Children with Autism Spectrum Disorder Academic Article
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Roughening of Gold Atomic Steps Induced by Interaction with Tetrahydrofuran Academic Article
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SCI: a robust and reliable density-based descriptor to determine multiple covalent bond orders Academic Article
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SERS-active Ag/Au bimetallic nanoalloys on Si/SiOx Academic Article
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SOFT X-RAY MICROSCOPY OF SOFT MATTER — HARD INFORMATION FROM TWO SOFTS Conference Paper
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STRUCTURE OF CHEMICALLY PREPARED PASSIVATION LAYERS ON SINGLE CRYSTAL SEMICONDUCTOR SURFACES Conference Paper
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SURFACE STUDIES BY CORE-EXCITATION REFLECTION ELECTRON ENERGY LOSS SPECTROSCOPY Conference Paper
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Salting-out aided dispersive extraction of Mn3O4 nanoparticles and carbon nanotubes for application in supercapacitors Academic Article
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Saturation coverage of deuterium on Ni(110) Academic Article
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Scaling behavior of polyelectrolytes and polyampholytes: Simulation by an ensemble growth method Academic Article
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Scaling properties of information-theoretic quantities in density functional reactivity theory Academic Article
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Scanning Probe Microscopy: The Lab on a Tip Academic Article
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Searching for spontaneous magnetic order in an organic ferromagnet. μSR studies of β-phase p-NPNN Academic Article
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Selective adsorption of protein on polymer surfaces studied by soft X-ray photoemission electron microscopy Conference Paper
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Self consistent field perturbation theory for Frenkel and charge transfer states of hydrogen bonded crystals Academic Article
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Self-assembled morphologies of ABA triblock copolymer brushes in selective solvents Academic Article
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Self-assembled morphologies of diblock copolymers confined in nanochannels: Effects of confinement geometry Academic Article
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Self-assembly of block copolymers Academic Article
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Self-assembly of diblock copolymers confined in cylindrical nanopores Academic Article
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Self-assembly of diblock copolymers under confinement Academic Article
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Self-assembly of grafted Y-shaped ABC triblock copolymers in solutions Academic Article
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Self-consistent field theory of polymer-ionic molecule complexation Academic Article
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Self‐Consistent Perturbation Theory of Nuclear Spin‐Coupling Constants: Application to Couplings Involving Carbon and Fluorine Academic Article
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Self‐quenching of nitrobenzoxadiazole labeled phospholipids in lipid membranes Academic Article
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Semiclassical localization in a one‐dimensional random analytic potential Academic Article
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Semiempirical Molecular‐Orbital Theory of Molecular Spectra. II. Approximate Open‐Shell Theory Academic Article
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Semiempirical approach to the problem of the radiative lifetime of the excitedF-color center Academic Article
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Separation of plasmid DNA isoforms by highly converging flow through small membrane pores Academic Article
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Shape variation of micelles in polymer thin films Academic Article
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Shift equations iteration solution to n-level close coupled equations, and the two-level nonadiabatic tunneling problem revisited Academic Article
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Short range ballistic motion in fluid lipid bilayers studied by quasi-elastic neutron scattering Academic Article
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Should negative electron affinities be used for evaluating the chemical hardness? Academic Article
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Si K-edge and Ge K-edge X-ray absorption spectroscopy of the SiGe interface in [(Si)m(Ge)n]p atomic layer superlattices Academic Article
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Si core-level excitation of hexamethyldisilane studied by synchrotron radiation and multiple-scattering X α calculation Academic Article
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Silicone Microemulsion Structures Are Maintained During Polymerization with Reactive Surfactants Academic Article
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Silicone foams stabilized by surfactants generated in situ from allyl-functionalized PEG Academic Article
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Silicone stabilized poly(methyl methacrylate) nonaqueous latex Academic Article
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Silicone stabilized poly(methyl methacrylate) nonaqueous latexes Academic Article
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Silicone-modified starch/protein microparticles: protecting biopolymers with a hydrophobic coating Academic Article
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Silicone−Protein Films: Establishing the Strength of the Protein−Silicone Interaction Academic Article
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Silicone−Protein Interaction at the Interface between a Functional Silicone and a Protein/Starch Microparticle Academic Article
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Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals Academic Article
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Simplification through complexity: the role of Ni-complexes in catalysed diyne–cyclobutanone [4+2+2] cycloadditions, a comparative DFT study Academic Article
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Simulated Annealing Study of Diblock Copolymer Thin Films Confined between Two Homogeneous Surfaces Academic Article
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Simulated annealing study of asymmetric diblock copolymer thin films Academic Article
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Simulated annealing study of morphological transitions of diblock copolymers in solution Academic Article
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Simulation of ionic diffusion in solid polymer electrolytes with correlated chain motion Academic Article
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Simulation of many-spin system dynamics via sparse matrix methodology Academic Article
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Simulations reveal the role of composition into the atomic-level flexibility of bioactive glass cements Conference Paper
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Simultaneous pH and Temperature Measurements Using Pyranine as a Molecular Probe Academic Article
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Single-wall carbon nanotubes synthesis by means of UV laser vaporization Academic Article
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Singlet ground state actinide chemistry with geminals Academic Article
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Singularities in the lineshape of a second-order perturbed quadrupolar nucleus and their use in data fitting Academic Article
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Singularities in the lineshape of a second-order perturbed quadrupolar nucleus. The magic-angle spinning case Academic Article
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Slope to intercept ratio of low-field photogeneration efficiency in β-metal-free phthalocyanine Academic Article
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Small-scale structure in fluid cholesterol–lipid bilayers Academic Article
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Smooth models for the Coulomb potential Academic Article
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Sodium deoxycholate as a versatile dispersing and coating-forming agent: A new facet of electrophoretic deposition technology Academic Article
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Sodium dodecyl sulfate binding to poly(N-isopropylacrylamide) microgel latex studied by isothermal titration calorimetry Conference Paper
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Soft Confinement-Induced Morphologies of Diblock Copolymers Academic Article
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Soft Matter Journal
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Soft X-ray microscopy and spectroscopy at the molecular environmental science beamline at the Advanced Light Source Academic Article
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Soft X-ray spectromicroscopy and ptychography Academic Article
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Soft X-ray spectromicroscopy development for materials science at the Advanced Light Source Academic Article
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Soft X-ray spectromicroscopy of biological and synthetic polymer systems Conference Paper
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Soft polymer magnetic nanocomposites: microstructure patterning by magnetophoretic transport and self-assembly Academic Article
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Solid State Nuclear Magnetic Resonance Journal
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Solubility of cholesterol in lipid membranes and the formation of immiscible cholesterol plaques at high cholesterol concentrations Academic Article
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Solvent mediated enhanced mobility of PPV films cast under the presence of a static electric field Academic Article
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Sorption of neptunium on bentonite and its migration in geosphere Academic Article
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Sorption of nonylphenol on Na-Montmorillonite Conference Paper
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Spatially resolved surface valence gradient and structural transformation of lithium transition metal oxides in lithium-ion batteries Academic Article
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Specific heat of hydrated lysozyme, water's contribution to its dynamics, and criteria for glass formation of biomaterials Academic Article
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Specific heat relaxation of an alcohol and implications for dielectric comparison Academic Article
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Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy Journal
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Sphingosine-1-Phosphate Receptor 1, Expressed in Myeloid Cells, Slows Diet-Induced Atherosclerosis and Protects against Macrophage Apoptosis in Ldlr KO Mice Academic Article
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Spike effects in heavy-ion sputtering of Ag, Au and Pt thin films Academic Article
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Spin Isomerization and the Second Transition in Solid CH4 Academic Article
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Spin-polarized angle-resolved photoemission from the (110) surface of platinum Academic Article
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Spontaneous decrease in the heat capacity of a glass Academic Article
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Spontaneous liquifaction of isomerizable molecular crystals Academic Article
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Spontaneous transformation of water’s high-density amorph and a two-stage crystallization to ice VI at 1 GPa: A dielectric study Academic Article
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Spontaneously Formed Unilamellar Vesicles with Path-Dependent Size Distribution Academic Article
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Spontaneously Forming Ellipsoidal Phospholipid Unilamellar Vesicles and Their Interactions with Helical Domains of Saposin C Academic Article
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Stability conditions for density functional reactivity theory: An interpretation of the total local hardness Academic Article
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Stability of ice XII relative to ice V and ice VI at high pressures Academic Article
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Stability of the Frank–Kasper σ-phase in BABC linear tetrablock terpolymers Academic Article
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Stabilization of Lipid Membranes through Partitioning of the Blood Bag Plasticizer Di-2-ethylhexyl phthalate (DEHP) Academic Article
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Stabilization of α-Chymotrypsin and Lysozyme Entrapped in Water-in-Silicone Oil Emulsions Academic Article
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State of water at 136 K determined by its relaxation time Academic Article
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Static magnetic fields enhance lipid order in native plant plasma membrane Academic Article
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Statistical dynamical theory of isomerization Academic Article
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Statistical dynamics and kinetics of unimolecular processes Academic Article
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Statistical dynamics of classical systems: A self-consistent field approach Academic Article
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Steric interaction and thermodynamic functions of the internal rotation of alkyl substituents with a cyclohexane ring Academic Article
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Steric self-assembly of laterally confined organic semiconductor molecule analogues Academic Article
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Stockholder projector analysis: A Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors Academic Article
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Stoichiometrically controlled production of bimetallic Gold-Silver alloy colloids using micro-alga cultures Academic Article
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Strain-effect for controlled growth mode and well-ordered structure of quaterrylene thin films Academic Article
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Strategies for computing chemical reactivity indices Academic Article
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Strategies for improving electrophoresis data from the Coulter DELSA Academic Article
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Strategies for liquid-liquid extraction of oxide particles for applications in supercapacitor electrodes and thin films Academic Article
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Streaming potential sensing in paper-based microfluidic channels Academic Article
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Structural Properties of Inverted Hexagonal Phase: A Hybrid Computational and Experimental Approach Academic Article
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Structural Variations in Hybrid All-Nanoparticle Gibbsite Nanoplatelet/Cellulose Nanocrystal Multilayered Films Academic Article
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Structural and magnetic characterization of thin iron films on a tungsten (001) substrate Academic Article
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Structural fluctuations and orientational glass of levoglucosan—High stability against ordering and absence of structural glass Academic Article
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Structural relaxation and thermal conductivity of high-pressure formed, high-density di-n-butyl phthalate glass and pressure induced departures from equilibrium state Academic Article
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Structure of Sodium Dodecyl Sulfate Bound to a Poly(NIPAM) Microgel Particle Academic Article
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Structure of aqueous MgSO4 solution: Dilute to concentrated Academic Article
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Structure of the Cl-passivated Ge(111) surface determined using X-ray absorption and first principles calculations Academic Article
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Structure solution of network materials by solid-state NMR without knowledge of the crystallographic space group Academic Article
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Studies of lithium ion dynamics in paramagnetic cathode materials using 6Li 1D selective inversion methods Academic Article
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Studies on Cr-Mo binary alloys II. Cross-over in surface segregation for chromium-rich alloys Academic Article
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Study of organic reactions using chemical reactivity descriptors derived through a temperature-dependent approach Academic Article
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Study of the Interaction of Ammonia with Tungsten Surfaces by Thermal Desorption Spectrometry Academic Article
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Study of the Pressure Dependence of Dielectric Polarization Academic Article
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Study of the low‐temperature ’’transition’’ in ice Ih by thermally stimulated depolarization measurements Academic Article
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Sub-Tg features of glasses formed by cooling glycerol under pressure – Additional incompatibility of vibrational with configurational states in the depressurized, high density glass Academic Article
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Subsystem constraints in variational second order density matrix optimization: Curing the dissociative behavior Academic Article
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Sufficient condition for monotonic electron density decay in many-electron systems Academic Article
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Sulfadiazine modified PDMS as a model material with the potential for the mitigation of posterior capsule opacification (PCO) Academic Article
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Sulfur and chlorine K-shell x-ray absorption spectra of SCl2, S2Cl2, SOCl2, and SO2Cl2 Academic Article
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Sum rules for exchange and correlation potentials Academic Article
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Superspreaders Versus “Cousin” Non-Superspreaders: Disjoining Pressure in Gravitational Film Drainage Academic Article
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Surface Behavior of Boronic Acid-Terminated Silicones Academic Article
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Surface Review and Letters Journal
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Surface Science Journal
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Surface and colloidal properties of hydrosilane-modified Stöber silica Academic Article
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Surface hydroxylation of polyethylene by plasma polymerization of allyl alcohol and subsequent silylation Academic Article
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Surface modification with PEG and hirudin for protein resistance and thrombin neutralization in blood contact Academic Article
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Surface modifications of Nitinol for biomedical applications Academic Article
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Surface phases of Ni(110) induced by adsorption of deuterium Academic Article
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Surface relaxation of the platinum (100)−(1 × 1) surface at 175 k Academic Article
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Surface segregation and preferential sputtering in CrMo alloys Academic Article
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Surface speciation of Eu3+ adsorbed on kaolinite by time-resolved laser fluorescence spectroscopy (TRLFS) and parallel factor analysis (PARAFAC) Academic Article
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Surface-active copolymer formation stabilizes PEG droplets and bubbles in silicone foams Academic Article
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Surfactant-enhanced cellulose nanocrystal Pickering emulsions Academic Article
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Swelling of phospholipid membranes by divalent metal ions depends on the location of the ions in the bilayers Academic Article
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Symmetric Nonlocal Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas Academic Article
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Synthesis and liquid-liquid extraction of non-agglomerated Al(OH)3 particles for deposition of cellulose matrix composite films Academic Article
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Synthesis in gas and liquid phase: general discussion Academic Article
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Synthesis of metal and metal oxide nanoparticles, liquid–liquid extraction and application in supercapacitors Academic Article
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Synthetic hydrogels formed by thiol–ene crosslinking of vinyl sulfone-functional poly(methyl vinyl ether-alt-maleic acid) with α,ω-dithio-polyethyleneglycol Academic Article
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Systematic treatment of spin-reactivity indicators in conceptual density functional theory Academic Article
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TEM imaging of unstained DNA nanostructures using suspended graphene Academic Article
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Tailored grids for numerical simulation of quantum molecular dynamics Academic Article
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Tailoring the properties of sub-3 μm silica core–shell particles prepared by a multilayer-by-multilayer process Academic Article
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Targeted and Non-Targeted Mechanisms for Killing Hypoxic Tumour Cells—Are There New Avenues for Treatment? Academic Article
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Tautomerization and Dissociation of Dimethyl Phosphonate Ions(CH3O)2P(H)=O•+:Theory and Experiment in Concert Academic Article
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Temperature dependence of Pt(111) surface relaxation Academic Article
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Temperature dependence of intersystem crossing in substituted anthracenes Academic Article
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Temperature dependence of photoluminescence efficiency in doped and blended organic thin films Academic Article
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Temperature modulation effects on a material’s properties: Thermodynamics and dielectric relaxation during polymerization Academic Article
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Temperature-Dependent Contact Angles of Water on Poly(N-isopropylacrylamide) Gels Academic Article
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Temperature-Induced Assembly of Monodisperse, Covalently Cross-Linked, and Degradable Poly(N-isopropylacrylamide) Microgels Based on Oligomeric Precursors Academic Article
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Temperature-Induced Assembly of Monodisperse, Covalently Cross-Linked, and Degradable Poly(N-isopropylacrylamide) Microgels Based on Oligomeric Precursors. Academic Article
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Temperature-Sensitive Flocculants Based on Poly(N-isopropylacrylamide-co-diallyldimethylammonium Chloride) Academic Article
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Temperature-independent onset of diffusion control during polymerization in a diepoxide–amine mixture by dielectric measurements Academic Article
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Temperature-sensitive aqueous microgels Academic Article
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Temperature‐dependent approach to chemical reactivity concepts in density functional theory Academic Article
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Template-Controlled Synthesis of Superparamagnetic Goethite within Macroporous Polymeric Microspheres Academic Article
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Temporal patterns and oscillatory voltage perturbation during an electrochemical process Academic Article
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Tests for thermodynamic state of water’s high-density amorph Academic Article
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Tetragonal phase of cylinders self-assembled from binary blends of AB diblock and (A′B)nstar copolymers Academic Article
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The Challenge of Paramagnetism in Two-Dimensional 6,7Li Exchange NMR Academic Article
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The Differential Reactive Oxygen Species Production of Tear Neutrophils in Response to Various Stimuli In Vitro Academic Article
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The Effects of Temperature and Methanol Concentration on the Properties of Poly(N-isopropylacrylamide) at the Air/Solution Interface Academic Article
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The Ehrenfest force topology: a physically intuitive approach for analyzing chemical interactions Academic Article
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The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character Academic Article
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The Gibbs–Thomson effect and intergranular melting in ice emulsions: Interpreting the anomalous heat capacity and volume of supercooled water Academic Article
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The Gradient Curves Method: An Improved Strategy for the Derivation of Molecular Mechanics Valence Force Fields from ab Initio Data Academic Article
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The HSAB principle from a finite-temperature grand-canonical perspective Academic Article
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The Impact of Early Life Exposure to Cannabis: The Role of the Endocannabinoid System Academic Article
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The Initiation of Th2 Immunity Towards Food Allergens Academic Article
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The Interaction of Bio-Molecules with Lipid Membranes Studied by X-ray Diffraction Academic Article
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The Kinetics and Affinity of Binding of Glu-Plasminogen Specific to the ϵ-Amino Group ofl-Lysine: Its Potential Application to Modified Biomaterials Academic Article
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The Pt(110) phase transitions: A study by rutherford backscattering, nuclear microanalysis, LEED and thermal desorption spectroscopy Academic Article
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The Role of Endoplasmic Reticulum Stress-Glycogen Synthase Kinase-3 Signaling in Atherogenesis Academic Article
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The Role of Propagating and Localized Surface Plasmons for SERS Enhancement in Periodic Nanostructures Academic Article
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The Significance of Parameters in Charge Equilibration Models Academic Article
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The Tammann phase boundary, exothermic disordering and the entropy contribution change on phase transformation Conference Paper
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The Winged Helix Domain of CSB Regulates RNAPII Occupancy at Promoter Proximal Pause Sites Academic Article
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The adsorption and desorption of oxygen on the Pt(110) surface; A thermal desorption and LEED/AES study Academic Article
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The adsorption, desorption, and exchange reactions of oxygen, hydrogen, and water on platinum surfaces Academic Article
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The conformational sensitivity of iterative stockholder partitioning schemes Academic Article
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The covalently bound HCN dimer ions HCN−NCH+ and HCN−C(N)H+ are stable species in the gas-phase, but the neutral counterparts are not Academic Article
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The covalently bound HNC dimer ion HN C C NH+ has a kinetically stable neutral counterpart Academic Article
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The covalently bound dimer ion HC N C NH+ and its neutral counterpart Academic Article
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The density per particle can be used as the fundamental descriptor for systems with rapidly decaying external potentials Academic Article
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The dependence on and continuity of the energy and other molecular properties with respect to the number of electrons Academic Article
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The dielectric and dynamic mechanical behaviour of molecularly disordered phases Academic Article
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The dielectric behavior of vapor‐deposited amorphous solid water and of its crystalline forms Academic Article
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The dielectric properties of H2O and D2O ice Ih at MHz frequencies Academic Article
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The dielectric properties of ice Ih in the range 272–133 K Academic Article
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The dielectric relaxation time of ice V, its partial anti-ferroelectric ordering and the role of Bjerrum defects Academic Article
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The dilution wave in polymer crystallization is described by Fisher’s reaction-diffusion equation Academic Article
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The dipolar correlation factor, the electrostatic field, the dipole moment, and the Coulombic interaction energy of water molecules in clathrate hydrates Academic Article
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The dissolutive wetting behavior between liquid iron and carbonaceous materials: Experiment and ReaxFF molecular dynamics simulation Academic Article
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The dynamic behavior of poly(N-isopropylacrylamide) at the air/water interface Academic Article
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The effect of channeling on MeV ion-induced auger electron production in silicon Academic Article
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The effect of thermalisation length and work function on epithermal positron emission from solids Academic Article
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The effect of unit cell polarity on CNDO/2 crystal calculations Academic Article
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The effects of covalent bonds on the localized relaxations in the glassy states of linear chain and network macromolecules Academic Article
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The effects of pressure and temperature on molecular dynamics during linear‐chain polymerization by dielectric measurements Academic Article
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The electronic spectrum of hydrogen fluoride (7–46 eV) Academic Article
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The electrostatic field and the molecular dipole moment in the polymorphs of ice Academic Article
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The electrostatic interaction energy of water molecules in polymorphs of ice Academic Article
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The entropy loss on supercooling a liquid and anharmonic contributions Academic Article
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The glass transition in thin polymer films Conference Paper
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The growth of polymer crystals at the transition from extended chains to folded chains Academic Article
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The halogen bond in solution: general discussion Academic Article
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The heat capacity relaxation and the enthalpy decrease in mass and diffusion-controlled polymerization reaction kinetics Academic Article
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The heat of formation of sulfine, CH2SO, revisited: a CBS-QB3 study Academic Article
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The hydrogen-bridged radical cation [NH2C O⋯H⋯O CHCH3]+ and its dissociation by proton-transport catalysis Academic Article
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The influence of PEO/poly(vinyl phenol-co-styrene sulfonate) aqueous complex structure on flocculation Academic Article
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The influence of PEO/poly(vinyl phenol-co-styrene sulfonate) aqueous complex structure on flocculation Academic Article
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The influence of dextran derivatives on polyethylene oxide and polyacrylamide-induced calcium carbonate flocculation and floc strength Academic Article
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The influence of orbital rotation on the energy of closed-shell wavefunctions Conference Paper
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The influence of phenolic cofactors on the properties of calcium carbonate flocs formed with PEO Academic Article
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The influence of volume fractions on the phase behaviors of linear A(BC)nBA′ multiblock terpolymers Academic Article
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The internal energy of an equilibrium glass at 0 K Academic Article
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The ionic isomerization [HCOH]+→[CH2O]+: proton-transport catalysis by CO and CO2 Academic Article
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The isomeric ions produced by the gas phase protonation of HNCO and HCNO Academic Article
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The isomerization of [H2O–CO]+ and [HC(O)OH]+ into [HO–C–OH]+: proton-transport catalysis by CO Academic Article
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The kinetics of ionic/metallic ion‐exchangers Academic Article
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The local response of global descriptors Academic Article
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The maximum hardness principle implies the hard/soft acid/base rule Academic Article
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The mechanical spectra of β-relaxation and spontaneous densification effects in an amorphous polymer Academic Article
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The mechanics of charge-shift bonds: A perspective from the electronic stress tensor Academic Article
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The orientational correlation parameter and the dipole moment of a water molecule in ice VI Academic Article
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The oscillator strengths for C1s and O1s excitation of some saturated and unsaturated organic alcohols, acids and esters Academic Article
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The physical basis of the hard/soft acid/base principle Conference Paper
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The polarization and dipole moment of lattice water in hydrogen bonded crystals Academic Article
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The proton dynamics of imidazole methylphosphonate: an example of cooperative ionic conductivity Academic Article
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The pt(100) (5 × 20) ⇋ (1 × 1) phase transition: A study by Rutherford backscattering, nuclear microanalysis, LEED and thermal desorption spectroscopy Academic Article
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The quest for the elusive carbodiimide ion HNCNH+ and its generation from ionized cyanamide by proton-transport catalysis Academic Article
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The reaction of the acrylonitrile ion CH2CH−CN+ with HCN: Proton-transport catalysis vs formation of ionized pyrimidine Academic Article
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The relationship between the eigenvalues and eigenvectors of a similarity matrix and its associated Carbó index matrix Academic Article
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The role of hydrogen bonding in non-ionic polymer adsorption to cellulose nanocrystals and silica colloids Academic Article
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The role of hydrogen-bridged radical cations in the dissociation of ionized glycolaldehyde [HOCH2CHO]+• Academic Article
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The role of polymer compatibility in the adhesion between surfaces saturated with modified dextrans Academic Article
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The singular points of frequency-dependent polarizabilities from time-dependent Hartree–Fock theory Academic Article
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The study of liposomes, lamellae and membranes using neutrons and X-rays Academic Article
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The temperature and polymerization effects on the relaxation time and conductivity, and the evolution of the localized motions Academic Article
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The thermal flux–flux correlation function and classical-quantum correspondence Academic Article
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The unconstrained local hardness: an intriguing quantity, beset by problems Academic Article
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The use of6Li{7Li}-REDOR NMR spectroscopy to compare the ionic conductivities of solid-state lithium ion electrolytes Academic Article
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The vibrational spectrum of sodium bromate Academic Article
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The “|Δμ| big is good” rule, the maximum hardness, and minimum electrophilicity principles Academic Article
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Theoretica Chimica Acta Journal
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Theoretical Chemistry Accounts Journal
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Theoretical and Computational Chemistry Journal
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Theoretical and Experimental Chemistry Journal
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Theory of polyampholyte solutions Academic Article
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Thermal conductivity of Glycerol’s liquid, glass, and crystal states, glass-liquid-glass transition, and crystallization at high pressures Academic Article
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Thermal conductivity of a polymerizing liquid Academic Article
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Thermal transport through a fluid–solid interface Academic Article
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Thermally Induced Phase Transition of Carborane-Functionalized Aliphatic Polyester Dendrimers in Aqueous Media Academic Article
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Thermochemical Analysis of Molybdenum Thin Films on Porous Alumina Academic Article
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Thermodiffusion in multicomponent hydrocarbon mixtures: Experimental investigations and computational analysis Academic Article
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Thermodynamic Justification for the Parabolic Model for Reactivity Indicators with Respect to Electron Number and a Rigorous Definition for the Electrophilicity: The Essential Role Played by the Electronic Entropy Academic Article
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Thermodynamic functions of water and ice confined to 2nm radius pores Academic Article
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Thermodynamic hardness and the maximum hardness principle Academic Article
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Thermodynamic properties of transfer RNA: a computational study Academic Article
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Thermodynamic responses of electronic systems Academic Article
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Thermodynamically destabilized hydride formation in “bulk” Mg–AlTi multilayers for hydrogen storage Academic Article
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Thermodynamics and dielectric relaxation during the polymerization of a flexible diamine–diepoxide mixture and its glassy-state relaxation Academic Article
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Thermodynamics of Methyl-β-cyclodextrin-Induced Lipid Vesicle Solubilization: Effect of Lipid Headgroup and Backbone Academic Article
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Thermodynamics of water-cubic ice and other liquid-solid coexistence in nanometer-size particles Academic Article
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Thinking inside the box: Novel linear scaling algorithm for Coulomb potential evaluation Academic Article
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Three-Dimensional Structure and Defects in Colloidal Photonic Crystals Revealed by Tomographic Scanning Transmission X-ray Microscopy Academic Article
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Tight constraints on the exchange-correlation potentials of degenerate states Academic Article
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Time distributions for classically unallowed processes of a two-level system: Nonadiabatic tunneling and above-barrier reflection Academic Article
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Time resolved observation of geminate recombination in metal-free phthalocyanine Academic Article
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Time-dependent amorphization of ice at 0.8–0.9 GPa Academic Article
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Time-independent density functional theory for degenerate excited states of Coulomb systems Academic Article
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Titrametric Characterization of pH-Induced Phase Transitions in Functionalized Microgels Academic Article
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Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database Academic Article
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Towards high throughput screening of nanoparticle flotation collectors Academic Article
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Toxic Waste Removal from Aqueous Solutions by Polyaniline: A Radiotracer Study Academic Article
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Transient ISEELS: a new probe of chemical reactions Conference Paper
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Transient action spectra of Al/x—H2Pc schottky barrier photovoltaic cells Academic Article
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Transition metal 2p excitaton of organometallic compounds studied by electron energy loss spectroscopy Academic Article
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Tunable Hydrogel Thin Films from Reactive Synthetic Polymers as Potential Two-Dimensional Cell Scaffolds Academic Article
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Tunable, antibacterial activity of silicone polyether surfactants Academic Article
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Tuning Cellulose Nanocrystal Gelation with Polysaccharides and Surfactants Academic Article
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Tuning drug release from smart microgel–hydrogel composites via cross-linking Academic Article
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Tuning the Chemical and Mechanical Properties of Conductive MoS2 Thin Films by Surface Modification with Aryl Diazonium Salts Academic Article
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Turn –on FRET-based cysteine sensor by sulfur-doped carbon dots and Au nanoparticles decorated WS2 nanosheet Academic Article
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Two-channel conduction through polyacenes—Extension of the source–sink potential method to multichannel coupling to leads Academic Article
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Two-electron-one-photon transitions in polycenter systems Academic Article
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Two-point weighted density approximations for the kinetic energy density functional Academic Article
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USE OF MIXED SPLINES IN THERMODYNAMIC CALCULATIONS Academic Article
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Understanding chemical binding using the Berlin function and the reaction force Academic Article
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Understanding the liquid–liquid (water–hexane) interface Academic Article
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Understanding unusual thermal transport behavior in soft materials under mechanical strain – A molecular dynamics study Academic Article
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Uniqueness and basis set dependence of iterative Hirshfeld charges Academic Article
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Universal dispersing agent for electrophoretic deposition of inorganic materials with improved adsorption, triggered by chelating monomers Academic Article
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Universal mathematical identities in density functional theory: Results from three different spin-resolved representations Academic Article
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Use of crystal polymorphs for resolving an equilibrium liquid’s state on supercooling to 0 K Academic Article
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Use of spin-polarized LEED rotation curves to study disordered surfaces: W(001)−(1 × 1) and W(001)−2H(1 × 1) Academic Article
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Using X-PEEM to study biomaterials: Protein and peptide adsorption to a polystyrene–poly(methyl methacrylate)-b-polyacrylic acid blend Academic Article
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Using reactivity indicators instead of the electron density to describe Coulomb systems Academic Article
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Using the Kohn–Sham formalism in pair density-functional theories Academic Article
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Using the general-purpose reactivity indicator: challenging examples Academic Article
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Utility of far-field effects from tip-assisted Raman spectroscopy for the detection of a monolayer of diblock copolymer reverse micelles for nanolithography Academic Article
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Valence band photoemission and near-edge core excitation spectroscopy of di-t-butylchlorophosphine Academic Article
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Vanadium Quadrupole Coupling Tensor in KVO3 Academic Article
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Variational principles for describing chemical reactions: Condensed reactivity indices Academic Article
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Variational second order density matrix study of F3−: Importance of subspace constraints for size-consistency Academic Article
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Vibration Spectra of Carboxylic Acids by Neutron Spectroscopy Academic Article
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Vibration Spectra of Hydrogen Bonds by Neutron Energy‐Loss Spectrometry Academic Article
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Vibrational and configurational heat capacity of poly(vinyl acetate) from dynamic measurements Academic Article
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Vibrational contribution to molecular polarizabilities and hyperpolarizabilities Academic Article
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Vibrational frequencies of toluene-d5 Academic Article
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Vibrational properties of Au and Pt(110) surfaces deduced from rutherford backscattering data Academic Article
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Vibrational spectra and internal rotation in ester molecules Academic Article
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Vibrational spectra of phenylisocyanide and perdeuterophenylisocyanide Academic Article
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Vibrational spectra of styrene-H8, -D3, -D5, and -D8 Academic Article
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Vibrational spectrum and geometric structure of the methyl proprionate molecule Academic Article
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Virial theorem in the Kohn–Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies Academic Article
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Viscous Liquids and the Glass Transition. III. Secondary Relaxations in Aliphatic Alcohols and Other Nonrigid Molecules Academic Article
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Viscous coalescence of unequally sized spherical and cylindrical doublets Academic Article
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Visible light driven plasmonic photochemistry on nano-textured silver Academic Article
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Vitrification and structural relaxation of a water-swollen protein, wheat gluten and the thermodynamics of its water-protein<->ice equilibrium (vol 92, pg 4521, 1996) Academic Article
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Vitrification and structural relaxation of a water-swollen protein, wheat gluten and the thermodynamics of its water–protein ↔ ice equilibrium Academic Article
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Water-soluble anionic polychloramide biocides based on maleic anhydride copolymers Academic Article
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Water’s Tg-endotherm, sub-Tg peak of glasses and Tg of water Academic Article
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Water’s character from dielectric relaxation above its Tg Academic Article
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Water’s polyamorphic transitions and amorphization of ice under pressure Academic Article
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Water’s size-dependent freezing to cubic ice Academic Article
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Water↔ice transformation in micron-size droplets in emulsions Academic Article
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Well-normalized charge-transfer models: a more general derivation of the hard/soft-acid/base principle Academic Article
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What can we learn about a dynamical length scale in glasses from measurements of surface mobility? Academic Article
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What is the correct Fe L23 X-ray absorption spectrum of magnetite? Academic Article
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When is the Fukui Function Not Normalized? The Danger of Inconsistent Energy Interpolation Models in Density Functional Theory Academic Article
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Why can TiAlCrSiYN-based adaptive coatings deliver exceptional performance under extreme frictional conditions? Academic Article
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Woodward-Hoffmann rules in density functional theory: Initial hardness response Academic Article
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X-ray Study of the Fluctuations and the Interfacial Structure of a Phospholipid Monolayer at an Alkane−Water Interface Academic Article
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X-ray absorption spectroscopy of polyureas and polyurethanes and their use in characterizing chemical gradients in thin-walled polyurea capsules Conference Paper
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X-ray absorption spectroscopy of polyureas and polyurethanes and their use in characterizing chemical gradients in thin-walled polyurea capsules Conference Paper
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X-ray and neutron scattering studies of the structure of water in a hydrogel Academic Article
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X-ray spectromicroscopy of immiscible polymer blends: polystyrene–poly(methyl methacrylate) Academic Article
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X-ray spectromicroscopy of polymers and tribological surfaces at beamline X1A at the NSLS Academic Article
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X-ray study of the fluctuations and the interfacial structure of a phospholipid monolayer at an alkane-water interface Academic Article
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XPS study of the effect of the conditions of peptide chemisorption to gold and silver coated polymer surfaces Academic Article
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Zeeman and Uniaxial Stress Spectra of CaF2(Eu2+) Academic Article
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Zein-Bonded Graphene and Biosurfactants Enable the Electrokinetic Clean-Up of Hydrocarbons Academic Article
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Zero-kinetic-energy photoelectron spectroscopy of Ar(2p)-excited argon clusters Academic Article
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pH Responsivity and Micelle Formation of Gradient Copolymers of Methacrylic Acid and Methyl Methacrylate in Aqueous Solution Academic Article
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pH-Dependence of the Properties of Hydrophobically Modified Polyvinylamine Academic Article
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β-Catenin/Smad3 Interaction Regulates Transforming Growth Factor-β-Induced Epithelial to Mesenchymal Transition in the Lens Academic Article
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σ, π aromaticity and anti-aromaticity as retrieved by the linear response kernel Academic Article