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(LS) versus (jj) coupling in P 2p inner-shell excited states of PF3 Academic Article
7-Norbornyl Cation Fact or Fiction? A QTAIM-DI-VISAB Computational Study Academic Article
Fractionation Factors Reveal Hidden Frustration in an Ancient Allosteric Module Academic Article
Ab initio study of sodium diffusion and adsorption on boron-doped graphyne as promising anode material in sodium-ion batteries Academic Article
EJ ensemble momentum sampling Academic Article
In situ x-ray diffraction studies of alkyl quaternary ammonium montmorillonite in a CO2 environment Academic Article
K‐shell shape resonances and intramolecular bond lengths. Comments on ‘‘The relationship between shape resonances and bond lengths’’ Academic Article
IOData : A python library for reading, writing, and converting computational chemistry file formats and generating input files Academic Article
¹²⁵I-Radiolabeling, Surface Plasmon Resonance, and Quartz Crystal Microbalance with Dissipation: Three Tools to Compare Protein Adsorption on Surfaces of Different Wettability Academic Article
¹²⁵Te NMR provides evidence of autoassociation of organo-ditellurides in solution Academic Article
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
A Budding Relationship: Bacterial Extracellular Vesicles in the Microbiota-Gut-Brain Axis Academic Article
A Combination of Chemotherapy and Oncolytic Virotherapy Sensitizes Colorectal Adenocarcinoma to Immune Checkpoint Inhibitors in a cDC1-Dependent Manner Academic Article
A DFT study on the effect of surface termination in CdTe (111)/α-Al2O3 (0001) heteroepitaxy Academic Article
A Facile Method of Forming Nanoscale Patterns on Poly(ethylene glycol)-Based Surfaces by Self-Assembly of Randomly Grafted Block Copolymer Brushes Academic Article
A Hamilton–Jacobi type equation for computing minimum potential energy paths Academic Article
A Mössbauer study of xenon compounds Academic Article
A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals Academic Article
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
A TEM and electron energy loss spectroscopy (EELS) investigation of active and inactive silver particles for surface enhanced resonance Raman spectroscopy (SERRS) Academic Article
A combined computational-experimental study on the effect of Na2O on the fluoride volatilization in molten slags Academic Article
A combined solid-state NMR and quantum chemical calculation study of hydrogen bonding in two forms of α-d-glucose Academic Article
A computer simulation for the study of macromolecular adsorption with special applications to single-component protein adsorption Academic Article
A defect theory for the glass transition and residual entropy of hyperquenched water Academic Article
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
A dielectric fallacy in inferring Tg of water Academic Article
A double quantum 129Xe NMR experiment for probing xenon in multiply-occupied cavities of solid-state inclusion compounds Conference Paper
A high performance grid-based algorithm for computing QTAIM properties Academic Article
A label-free luminescent light switching system for miRNA detection based on two color quantum dots Academic Article
A magnetic resonance and electrochemical study of the role of polymer mobility in supporting hydrogen transport in perfluorosulfonic acid membranes Academic Article
A metropolis Monte Carlo method for computing microcanonical statistical rate constants Academic Article
A molecular orbital theory of hydrocarbons Academic Article
A molecular orbital theory of hydrocarbons Academic Article
A molecular orbital theory of hydrocarbons Academic Article
A new Tb3+-selective fluorescent sensor based on 2-(5-(dimethylamino)naphthalen-1-ylsulfonyl)-N-henylhydrazinecarbothioamide Academic Article
A new approach to study bonding anisotropy with EELS Academic Article
A new route to poly(N-isopropylacrylamide) microgels supporting a polyvinylamine corona Academic Article
A new t-PA releasing concept based on protein–protein displacement Academic Article
A perspective on the link between the exchange(-correlation) hole and dispersion forces Academic Article
A practical and efficient method to calculate AIM localization and delocalization indices at post-HF levels of theory Academic Article
A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory fails Academic Article
A quantitative experimental study of the core excited electronic states of formamide, formic acid, and formyl fluoride Academic Article
A quantum informational approach for dissecting chemical reactions Academic Article
A reference-free stockholder partitioning method based on the force on electrons Academic Article
A resolution for the enigma of a liquid’s configurational entropy-molecular kinetics relation Academic Article
A selective colorimetric and fluorescence chemosensing sensor for Cr3+ based on a rhodamine base derivative Academic Article
A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss Academic Article
A sequential nanopore-channel device for polymer separation Academic Article
A simple algorithm for the Kohn–Sham inversion problem applicable to general target densities Academic Article
A simple assay for azide surface groups on clickable polymeric nanoparticles Academic Article
A simulated annealing approach for solving zeolite crystal structures from two-dimensional NMR correlation spectra Academic Article
A study of carrier generation in β-metal-free phthalocyanine Academic Article
A study of carrier generation mechanism in x‐metal‐free phthalocyanine Academic Article
A study of carrier generation mechanism in benzimidazole perylene/tetraphenyldiamine thin film structures Academic Article
A study of quenching and enhancing effects of some amino acids on peroxyoxalate chemiluminescence of rhodamine 6G Academic Article
A study of the phase transition and relaxation of a Pt(100) surface by MeV ion backscattering and channeling Academic Article
A symmetry problem in polymer calculations Academic Article
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
AB initio calculations for the 3d-exponent of phosphorus and sulphur Academic Article
ACKS2: Atom-condensed Kohn-Sham DFT approximated to second order Academic Article
Abnormal Social Interactions in a Drosophila Mutant of an Autism Candidate Gene: Neuroligin 3 Academic Article
Absolute coverage and isostemc heat of adsorption of deuterium on Pt(111) studied by nuclear microanalysis Academic Article
Absolute coverages and hysteresis phenomena associated with the CO‐induced Pt(100) hex⇄(1×1) phase transition Academic Article
Absolute coverages of CO and O on Pt(111); Comparison of saturation CO coverages on Pt(100), (110) and (111) surfaces Academic Article
Absolute dipole oscillator strengths for molecular and dissociative photoionization of COS (10–50 eV) and CS2 (10–40 eV) Academic Article
Absolute oscillator strengths for valence-shell ionic photofragmentations of N2O and CO2 (8–75 eV) Academic Article
Accurate quantum yields by laser gain vs absorption spectroscopy: Investigation of Br/Br* channels in photofragmentation of Br₂ and IBr Academic Article
Acetylsalicylic acid (ASA) increases the solubility of cholesterol when incorporated in lipid membranes Academic Article
Activin A and Cell-Surface GRP78 Are Novel Targetable RhoA Activators for Diabetic Kidney Disease Academic Article
Addressing the Coulomb potential singularity in exchange-correlation energy integrals with one-electron and two-electron basis sets Academic Article
Adiponectin—Consideration for its Role in Skeletal Muscle Health Academic Article
Adsorption Science and Technology Journal
Adsorption and Covalent Coupling of ATP-Binding DNA Aptamers onto Cellulose Academic Article
Adsorption of Fibrinogen and Lysozyme on Silicon Grafted with Poly(2-methacryloyloxyethyl Phosphorylcholine) via Surface-Initiated Atom Transfer Radical Polymerization Academic Article
Adsorption of Humic Acid on Goethite: Isotherms, Charge Adjustments, and Potential Profiles Academic Article
Adsorption of aqueous copper chlorophyllin mixtures on model surfaces Academic Article
Adsorption of atomic oxygen on GaAs(001)-(2×4) and the resulting surface structures Academic Article
Adsorption of ethylene on graphite near saturation: wetting transition/capillary condensation Academic Article
Adsorption of fibrinogen on glass: reversibility aspects Academic Article
Adsorption of nitrogen on platinum Academic Article
Adsorption of plasminogen to glass and polyurethane surfaces Academic Article
Advances in Chemical Physics Journal
Advances in Colloid and Interface Science Journal
Aging kinetics of levoglucosan orientational glass as a rate dispersion process and consequences for the heterogeneous dynamics view Academic Article
Alternative Ornstein-Zernike models from the homogeneous electron liquid for density functional theory calculations Academic Article
Alternative definition of exchange-correlation charge in density functional theory Academic Article
Alternatives to the electron density for describing Coulomb systems Academic Article
Aminated Thermoresponsive Microgels Prepared from the Hofmann Rearrangement of Amides without Side Reactions Academic Article
Ammonia Decomposition on Tungsten Surfaces Academic Article
Amorphous solid water’s isotopic exchange kinetics Academic Article
Amyloid-β_25–35peptides aggregate into cross-β sheets in unsaturated anionic lipid membranes at high peptide concentrations Academic Article
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
An Emerging Cross-Species Marker for Organismal Health: Tryptophan-Kynurenine Pathway Academic Article
An X-ray Spectromicroscopy Study of Protein Adsorption to Polystyrene−Poly(ethylene oxide) Blends Academic Article
An analysis for β‐process in several molecular glasses Academic Article
An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water Academic Article
An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces Academic Article
An electron-preceding perspective on the deformation of materials Academic Article
An elementary derivation of the hard/soft-acid/base principle Academic Article
An equilibrium supercooled liquid’s entropy and enthalpy in the Kauzmann and the third law extrapolations, and a proposed experimental resolution Academic Article
An estimate for the Gibbs energy of amorphous solid waters and differences between the low-density amorph and glassy water Academic Article
An explicit approach to conceptual density functional theory descriptors of arbitrary order Academic Article
An ice phase of lowest thermal conductivity Academic Article
An improved molecular dynamics algorithm to study thermodiffusion in binary hydrocarbon mixtures Academic Article
An information-theoretic resolution of the ambiguity in the local hardness Academic Article
An interpretation for the thermodynamic features of ice Ih↔ice XI transformation Academic Article
An investigation into allegations of double scattering in the carbon K-shell electron energy loss spectrum of acetylene Academic Article
Analyses for a dipolar relaxation in the featureless dielectric spectrum, and a comparison between the permittivity, modulus and impedance representations Academic Article
Analysis of density functionals and their density tails in H2 Academic Article
Analysis of density functionals and their density tails in H2 Academic Article
Analysis of the conformational dependence of mass-metric tensor determinants in serial polymers with constraints Academic Article
Analytical description of colloid behavior in single fractures under irreversible deposition Academic Article
Anesthetics significantly increase the amount of intramembrane water in lipid membranes Academic Article
Anisotropy and anharmonicity in polystyrene stable glass Academic Article
Anomalous and anisotropic nanoscale diffusion of hydration water molecules in fluid lipid membranes Academic Article
Application of Polymer Adsorption Models to Dynamic Surface Tension Academic Article
Application of SCF perturbation theory to molecular calculations Academic Article
Application of SCF perturbation theory to the study of tetrahedrally bonded valence crystals Academic Article
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
Application of octanohydroxamic acid for liquid-liquid extraction of manganese oxides and fabrication of supercapacitor electrodes Academic Article
Application of second-order SCF perturbation theory to the calculation of mixed-frequency hyperpolarizabilities from time-dependent Hartree-Fock theory Academic Article
Application of second-order SCF perturbation theory to the solution of time-dependent Hartree—Fock equations Academic Article
Application of the electron density force to chemical reactivity Academic Article
Applied Magnetic Resonance Journal
Approach to universal self-similar attractor for the levelling of thin liquid films Academic Article
Approximate Self‐Consistent Molecular Orbital Theory. I. Invariant Procedures Academic Article
Approximate Self‐Consistent Molecular Orbital Theory. IV. Calculations on Molecules Including the Elements Sodium through Chlorine Academic Article
Ar 2p spectroscopy of free argon clusters Academic Article
Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition? Academic Article
Argon cluster evaporation dynamics Academic Article
Assessment of the March-Santamaria kinetic energy pair-density functional Academic Article
Asymmetric Dimethylarginine in Chronic Obstructive Pulmonary Disease (ADMA in COPD) Academic Article
Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States Academic Article
Atomic structure determination for GaAs(001)-(6×6) by STM Academic Article
Atomic-level 2-dimensional chemical mapping and imaging of individual dopants in a phosphor crystal Academic Article
Atoms in molecules, an axiomatic approach. I. Maximum transferability Academic Article
Auger energy shifts and core level relaxation energies in XeF₂, XeF₄, and XeF₆ Academic Article
Auger-spectrum simulation techniques for surface analysis of alloys with overlapping peaks: sputtered and annealed W—Mo alloys Academic Article
Automated Parametrization of AMBER Force Field Terms from Vibrational Analysis with a Focus on Functionalizing Dinuclear Zinc(II) Scaffolds Academic Article
Average electronic energy is the central quantity in conceptual chemical reactivity theory Academic Article
Back matter Academic Article
Bacteria survival probability in bactericidal filter paper Academic Article
Bacterial Capture Efficiency and Antimicrobial Activity of Phage-Functionalized Model Surfaces Academic Article
Balancing the atomic waistline: Isodensity-based scrf radii for main-group elements and transition metals Academic Article
Band alignment of monolayer CaP₃, CaAs₃, BaAs₃ and the role of p–d orbital interactions in the formation of conduction band minima Academic Article
Band structure calculations for ethylene and urea Academic Article
Bayesian uncertainty quantification in inverse modeling of electrochemical systems Academic Article
Behavior of proteins at interfaces Academic Article
Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series Academic Article
Benchmarking Cellulose Nanocrystals Part II: New Industrially Produced Materials Academic Article
Benchmarking Cellulose Nanocrystals: From the Laboratory to Industrial Production Academic Article
Benchmarking pKa prediction methods for Lys115 in acetoacetate decarboxylase Academic Article
Between a reactant rock and a solvent hard place – molecular corrals guide aromatic substitutions Academic Article
Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density Academic Article
Beyond the halogen bond: general discussion Academic Article
Bibliography and database of inner shell excitation spectra of gas phase atoms and molecules Academic Article
Bibliography of atomic and molecular inner-shell excitation studies Academic Article
Binding Energies in Atomic Negative Ions: III Academic Article
Binding of solvated peptide (EPLQLKM) with a graphene sheet via simulated coarse-grained approach Academic Article
Bio-inspired catechol chemistry for electrophoretic nanotechnology of oxide films Academic Article
Bio-inspired super liquid-repellent membranes for membrane distillation: Mechanisms, fabrications and applications Academic Article
Biomimetic modification of poly-l-lysine and electrodeposition of nanocomposite coatings for orthopaedic applications Academic Article
Biomimetic strategies in colloidal-electrochemical deposition of functional materials and composites using chenodeoxycholic acid Academic Article
Biomimetic strategy for electrophoretic deposition of composite ferroelectric poly(vinylidene, fluoride-co-hexafluoropropylene) – ferrimagnetic NiFe2O4 films Academic Article
Biomimetically modified chitosan for electrophoretic deposition of composites Academic Article
Biophysical Reviews and Letters Journal
Biotinylation of TiO₂ Nanoparticles and Their Conjugation with Streptavidin Academic Article
Birefringence in spin-coated films containing cellulose nanocrystals Academic Article
Block copolymer self-organization vs. interfacial modification in bilayered thin-film laminates Academic Article
Blowing drops off a filament Academic Article
Bond metallicity of materials from real space charge density distributions Academic Article
Bond-angle and bond-length dependence of bound-state resonances in inner-shell excitation spectra of SF4 Conference Paper
Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation Academic Article
Borate Binding to Polyol-Stabilized Latex Academic Article
Brain Metastasis-Initiating Cells: Survival of the Fittest Academic Article
Breathable Microgel Colloidosome: Gas-Switchable Microcapsules with O₂ and CO₂ Tunable Shell Permeability for Hierarchical Size-Selective Control Release Academic Article
Brewster angle Raman scattering from transparent crystals Academic Article
Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Academic Article
CNDO Molecular‐Orbital Theory of Molecular Spectra. I. The Virtual‐Orbital Approximation to Excited States Academic Article
CNDO Molecular‐Orbital Theory of Molecular Spectra. III. Calculations for the Fluorosulfate Radical Academic Article
CNH2+: Laboratory generation of a proposed interstellar species Academic Article
COORDINATION OF DATA ON PHASE-EQUILIBRIA .1. PRINCIPLES OF THE TECHNIQUE Academic Article
CORE EXCITATION IN FREE CLUSTERS: IONIZATION, RELAXATION, AND FRAGMENTATION Conference Paper
Calculation of Fukui Functions Without Differentiating to the Number of Electrons. 3. Local Fukui Function and Dual Descriptor Academic Article
Calculation of frequency-dependent polarizabilities by means of SCF perturbation theory Academic Article
Calculation of molecular geometries by SCF perturbation theory Academic Article
Calculations of second-order TDHF equations for ammonia Academic Article
Calculations on the photodissociation of acetone Academic Article
Calorimetric effects of intergranular water in ice Academic Article
Can one oxidize an atom by reducing the molecule that contains it? Academic Article
Capillary leveling of stepped films with inhomogeneous molecular mobility Academic Article
Capillary levelling as a probe of thin film polymer rheology Academic Article
Capillary levelling of a cylindrical hole in a viscous film Academic Article
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
Carbon K‐shell excitation of gaseous and condensed cyclic hydrocarbons: C₃H₆, C₄H₈, C₅H₈, C₅H₁₀, C₆H₁₀, C₆H₁₂, and C₈H₈ Academic Article
Carbon K-shell excitation of C2H2, C2H4, C2H6 and C6H6 by 2.5 keV electron impact Academic Article
Carbon K-shell excitation spectra of linear and branched alkanes Academic Article
Carbonic Anhydrase as a Biomarker of Global and Local Impacts: Insights from Calcifying Animals Academic Article
Cataphoretic assembly of cationic dyes and deposition of carbon nanotube and graphene films Academic Article
Cathodic electrodeposition of ceramic and organoceramic materials. Fundamental aspects Academic Article
Cathodic electrophoretic deposition of manganese dioxide films Academic Article
Cationic polyvinylamine binding to anionic microgels yields kinetically controlled structures Academic Article
Cationic surface functionalization of cellulose nanocrystals Academic Article
Celebrating 43 years and 200 volumes of JESRP Academic Article
Cell Adhesion on a POEGMA-Modified Topographical Surface Academic Article
Chain Conformation of a New Class of PEG-Based Thermoresponsive Polymer Brushes Grafted on Silicon as Determined by Neutron Reflectometry Academic Article
Chain formation in a magnetic fluid under the influence of strong external magnetic fields studied by small angle neutron scattering Academic Article
Chain statistics and the changes in the entropy and heat capacity during melt polymerization Academic Article
Challenges to Achieving Strong but Fully Degradable Adhesive Joints between Wet Cellulose Surfaces Academic Article
Change in entropy in thermal hysteresis of liquid-glass-liquid transition and consequences of violating the Clausius theorem Academic Article
Changes in the Morphology of Self-Assembled Polystyrene Microsphere Monolayers Produced by Annealing Academic Article
Changing the magnetic properties of microstructure by directing the self-assembly of superparamagnetic nanoparticles Academic Article
Channel flow cell studies on the evaluation of surface pretreatments using phosphoric acid or polymaleic acid for calcite stone protection Academic Article
Chapter 1 Chemical reactivity and the shape function Academic Article
Chapter 16: Linear inequalities for diagonal elements of density matrices Academic Article
Characteristics of BPA removal from water by PACl-Al13 in coagulation process Academic Article
Characteristics of power spectra for regular and chaotic systems Academic Article
Characterization of anisotropic poly(vinyl alcohol) hydrogel by small- and ultra-small-angle neutron scattering Academic Article
Characterization of iminothiosulfine-type ions [HNCS2]+/− and their neutral counterparts by mass spectrometry and computational chemistry Academic Article
Characterization of the Chemical Behavior of the Low Excited States through a Local Chemical Potential Academic Article
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
Characterizing anomalous diffusion in crowded polymer solutions and gels over five decades in time with variable-lengthscale fluorescence correlation spectroscopy Academic Article
Characterizing charge and crosslinker distributions in polyelectrolyte microgels Academic Article
Characterizing the sensitivity of bonds to the curvature of carbon nanotubes Academic Article
Charge regulation enables anionic hydroxypropyl guar-borate adsorption onto anionic and cationic polystyrene latex Academic Article
Charge transfer and chemical potential in 1,3-dipolar cycloadditions Academic Article
Chargephilicity and chargephobicity: Two new reactivity indicators for external potential changes from density functional reactivity theory Academic Article
ChemPhysChem Journal
Chemical Physics Journal
Chemical Physics Letters Journal
Chemical Pulsed-Force Microscopy of Single Polyethyleneimine Molecules in Aqueous Solution Academic Article
Chemical and physical effects during spontaneous relaxation of a network-structure glass Academic Article
Chemical hardness: Temperature dependent definitions and reactivity principles Academic Article
Chemical in situ modulation of doping interactions between oligoanilines and nanocarbon films Academic Article
Chemical metastability loss and molecular dynamics by dielectric relaxations during the catalytic polymerization of a diepoxide Academic Article
Chemical verification of variational second-order density matrix based potential energy surfaces for the N2 isoelectronic series Academic Article
Chemically ordered fcc (111) Mn–(FexNi1−x) alloy ultrathin films Academic Article
Chemically selective adsorption of molecular oxygen on GaAs(100)c(2×8) Academic Article
Chemisorption of thiolated poly(ethylene oxide) to gold: surface chain densities measured by ellipsometry and neutron reflectometry Academic Article
Chitosan-Based biogels: A potential approach to trap and bioremediate naphthalene Academic Article
Cholesterol expels ibuprofen from the hydrophobic membrane core and stabilizes lamellar phases in lipid membranes containing ibuprofen Academic Article
Choosing mineral flotation collectors from large nanoparticle libraries Academic Article
Circumvention of Fluorophore Photobleaching in Fluorescence Fluctuation Experiments: a Beam Scanning Approach Academic Article
Co-doping studies to enhance the life and electro-chemo-mechanical properties of the LiMn₂O₄cathode using multi-scale modeling and neuro-computing techniques Academic Article
Co-existence of gel and fluid lipid domains in single-component phospholipid membranes Academic Article
Coincidence Measurements in Dual-Color Confocal Microscopy: A Combined Single-Particle and Fluorescence Correlation Approach Academic Article
Collinear collision of an atom with a homonuclear diatomic molecule Academic Article
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
Colloidal Complexes from Poly(vinyl amine) and Carboxymethyl Cellulose Mixtures Academic Article
Colloidal Flocculation with Poly(ethylene oxide)/Polypeptide Complexes Academic Article
Colloidal Stability of Stöber Silica in Acetone Academic Article
Colloidal Stability of Stöber Silica in Acetone–Water Mixtures Academic Article
Colloidal methods for the fabrication of carbon nanotube–manganese dioxide and carbon nanotube–polypyrrole composites using bile acids Academic Article
Colloidal strategies for electrophoretic deposition of organic-inorganic composites for biomedical applications Academic Article
Colloidal-electrochemical fabrication strategies for functional composites of linear polyethylenimine Academic Article
Colloids and Surfaces A: Physicochemical and Engineering Aspects Journal
Colloids and Surfaces B: Biointerfaces Journal
Combined NMR and molecular dynamics modeling study of transport properties in sulfonamide based deep eutectic lithium electrolytes: LiTFSI based binary systems Academic Article
Combined Radionuclide Therapy and Immunotherapy for Treatment of Triple Negative Breast Cancer Academic Article
Combining density functional theory and 23Na NMR to characterize Na2FePO4F as a potential sodium ion battery cathode Academic Article
Comment on Effect of Temperature on Surfactant-Driven Water Movement in Wet “Unsaturated” Sand Academic Article
Comment on “A Database of Experimentally Derived and Estimated Octanol–Air Partition Ratios (K_OA)” [J. Phys. Chem. Ref. Data 50, 043101 (2021)] Academic Article
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
Comment on “Dynamics of glass-forming liquids. XIII. Microwave heating in slow motion” [J. Chem. Phys. 130, 194509 (2009)] Academic Article
Comment on “Glass transition in pure and doped amorphous solid water: An ultrafast microcalorimetry study” [J. Chem. Phys. 125, 094501 (2006)] Academic Article
Comment on “Heat capacity, enthalpy fluctuations, and configurational entropy in broken ergodic systems” [J. Chem. Phys. 133, 164503 (2010)] Academic Article
Comments on fluorescence methods for probing local deviations from lamellar packing Academic Article
Commonalities in the Features of Cancer and Chronic Fatigue Syndrome (CFS): Evidence for Stress-Induced Phenotype Instability? Academic Article
Communication: A case where the hard/soft acid/base principle holds regardless of acid/base strength Academic Article
Communication: A tractable design for a thermal transistor Academic Article
Communication: Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors Academic Article
Communication: Kohn-Sham theory for excited states of Coulomb systems Academic Article
Communication: Thermal rectification in liquids by manipulating the solid-liquid interface Academic Article
Communication: Two types of flat-planes conditions in density functional theory Academic Article
Comparing surface and bulk flow of a molecular glass former Academic Article
Comparing the time invariant and time-variant dielectric relaxation data simulated for a macromolecules growth. Academic Article
Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation Academic Article
Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation Academic Article
Comparison of transfer Hamiltonian approximation, born approximation and exact coefficients of inelastic electron tunnelling Academic Article
Competitive Adsorption of High Molecular Weight Kininogen and Fibrinogen from Binary Mixtures to Glass Surface Academic Article
Competitive interactions of dextran sulfate with positively charged particles and polymers Academic Article
Complete description of the interactions of a quadrupolar nucleus with a radiofrequency field. Implications for data fitting Academic Article
Complex Micelles from Self-Assembly of ABA Triblock Copolymers in B-Selective Solvents Academic Article
Complex Thermodynamic Behavior of Single-Stranded Nucleic Acid Adsorption to Graphene Surfaces Academic Article
Composition dependence and the nature of endothermic freezing and exothermic melting Academic Article
Composition effect on thermophobicity of ternary mixtures: An enhanced molecular dynamics method Academic Article
Comprehensive Examination of Mesophases Formed by DMPC and DHPC Mixtures Academic Article
Computational Analysis of the Crystal and Cryo-EM Structures of P-Loop Channels with Drugs Academic Article
Computational approaches and sigma-hole interactions: general discussion Academic Article
Computing Fukui functions without differentiating with respect to electron number. I. Fundamentals Academic Article
Computing Fukui functions without differentiating with respect to electron number. II. Calculation of condensed molecular Fukui functions Academic Article
Computing Second-Order Functional Derivatives with Respect to the External Potential Academic Article
Computing the Fukui function from ab initio quantum chemistry: approaches based on the extended Koopmans’ theorem Academic Article
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
Computing tunneling paths with the Hamilton–Jacobi equation and the fast marching method Academic Article
Conceptual DFT analysis of the regioselectivity of 1,3-dipolar cycloadditions: nitrones as a case of study Academic Article
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
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
Conceptual density functional theory: status, prospects, issues Academic Article
Conditional Deletion of AP-2β in the Periocular Mesenchyme of Mice Alters Corneal Epithelial Cell Fate and Stratification Academic Article
Conductivity and dielectric relaxation in hydrated fused salts Academic Article
Configurational and residual entropies of nonergodic crystals and the entropy’s behavior on glass formation Academic Article
Configurational and vibrational entropies and molecular relaxation in supercooled water Academic Article
Configurational specific heat of molecular liquids by modulated calorimetry Academic Article
Confined self-assembly of cylinder-forming diblock copolymers: effects of confining geometries Academic Article
Conformation of a tethered polymer in a leaky nanocavity Academic Article
Conformation properties of buta-1,3-diene-1,4-diones (bisketenes): computational and photoelectron spectroscopic studies Academic Article
Conformational change in fibrinogen desorbed from glass surface Academic Article
Considerations on describing non-singlet spin states in variational second order density matrix methods Academic Article
Constrained iterative Hirshfeld charges: A variational approach Academic Article
Constraints for hierarchies of many electron distribution functions Academic Article
Contribution to the theory of diffusion‐reaction controlled Liesegang patterns Academic Article
Contributions of DNA Damage to Alzheimer’s Disease Academic Article
Contributions to the entropy of a glass and liquid, and the dielectric relaxation time Academic Article
Controlling Deposition and Release of Polyol-Stabilized Latex on Boronic Acid-Derivatized Cellulose Academic Article
Controlling cellular activity by manipulating silicone surface roughness Academic Article
Controlling the Adsorption of Single Poly(styrenesulfonate) Sodium on NH₃⁺-Modified Gold Surfaces on a Molecular Scale Academic Article
Controlling the Assembly of Nanoparticle Mixtures With Two Orthogonal Polymer Complexation Reactions Academic Article
Cooperative Ordering and Kinetics of Cellulose Nanocrystal Alignment in a Magnetic Field Academic Article
Cooperative strings in glassy nanoparticles Academic Article
Coordinate scaling of the kinetic energy in pair density functional theory: A Legendre transform approach Conference Paper
Copper-phthalocyanine based metal–organic interfaces: The effect of fluorination, the substrate, and its symmetry Academic Article
Core excitation in atomic and molecular clusters Academic Article
Core-level excitation in argon clusters Academic Article
Correction to Pickering Emulsion Templated Layer-by-Layer Assembly for Making Microcapsules Academic Article
Correction: Cationic surface functionalization of cellulose nanocrystals Academic Article
Correction: Cooperative strings in glassy nanoparticles Academic Article
Correction: Scaling properties of information-theoretic quantities in density functional reactivity theory Academic Article
Correlation between intramolecular bond lengths and K-shell σ-shape resonances in gas-phase molecules Academic Article
Coupled Hartree-Fock calculations of molecular hyperpolarizabilities Academic Article
Covalent assembly of silica nanoparticle aggregates for oligonucleotide synthesis Academic Article
Critical analysis and extension of the Hirshfeld atoms in molecules Academic Article
Critical fluctuations in DOPC/DPPC-d₆₂/cholesterol mixtures: ²H magnetic resonance and relaxation Academic Article
Critical thoughts on computing atom condensed Fukui functions Academic Article
Cross-Linked Hydrogels Formed through Diels–Alder Coupling of Furan- and Maleimide-Modified Poly(methyl vinyl ether-alt-maleic acid) Academic Article
Cross-Linked Microcapsules Formed From Self-Deactivating Reactive Polyelectrolytes Academic Article
Crust Effect on Multiscale Pattern Formations in Drying Micelle Solution Drops on Solid Substrates Academic Article
Crystallization and melting of highly monodisperse poly(ethylene-oxide) Academic Article
Crystallization kinetics of water below 150 K Academic Article
Crystallization of low molecular weight atactic polystyrene Academic Article
Curcumin Can Decrease Tissue Inflammation and the Severity of HSV-2 Infection in the Female Reproductive Mucosa Academic Article
Curcumin Protects Membranes through a Carpet or Insertion Model Depending on Hydration Academic Article
Current Opinion in Colloid and Interface Science Journal
Curvature Effect on the Structure of Phospholipid Bilayers Academic Article
Cyclic CVD Modification of Straight Pore Alumina Membranes Academic Article
Cylinder-gyroid-lamella transitions in diblock copolymer solutions: A simulated annealing study Academic Article
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Dick Brundle - Publisher's note Academic Article
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Dielectric properties of ice VI at low temperatures Academic Article
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Dielectric relaxation and elasticity during polymerization Academic Article
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Direct Method of Tracing the Wetting States on Nanocomposite Surfaces Academic Article
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Drop impacts on electrospun nanofiber membranes Academic Article
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Dual Grid Methods for Finding the Reaction Path on Reduced Potential Energy Surfaces Academic Article
Dual Lanczos simulation of dynamic nuclear magnetic resonance spectra for systems with many spins or exchange sites Academic Article
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Dynamical effects on 181Ta Nuclei in ice Academic Article
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Effect of mobile ions on the electric field needed to orient charged diblock copolymer thin films Academic Article
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Efficient and accurate density-based prediction of macromolecular polarizabilities Academic Article
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Elastic properties of liquid-crystalline bilayers self-assembled from semiflexible–flexible diblock copolymers Academic Article
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Electric field modulation of charge transfer processes in reaction centers of photosynthetic bacteria Academic Article
Electric field-induced fluorescence quenching in organic photoconductors Academic Article
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Electric-field-induced modulation of fluorescence from rhodamine 610 dye in a thin plastic film Academic Article
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Electrolyte effects in the adsorption and desorption of a cationic polyacrylamide on cellulose fibers Academic Article
Electromotive force measurements in liquid K–Te solutions with a potassium β alumina electrolyte Academic Article
Electron Compton scattering from methane and methane-d4 Conference Paper
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Electron beam characteristics inferred using experimental lens transmission through a pair of apertures Academic Article
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Electronic properties of Pb-I deficient lead halide perovskites Academic Article
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Electrophoretic deposition of materials using humic acid as a dispersant and film forming agent Academic Article
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Electrophoretic deposition of polymethylmethacrylate and composites for biomedical applications Academic Article
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
Electrostatic potentials of humic acid: Fluorescence quenching measurements and comparison with model calculations Conference Paper
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Emergence of ordered network mesophases in kinetic pathways of order–order transition for linear ABC triblock terpolymers Academic Article
Empirical prediction of protein pKavalues with residue mutation Academic Article
Emulsion/Surface Interactions from Quiescent Quartz Crystal Microbalance Measurements with an Inverted Sensor Academic Article
End-to-end intramolecular quenching of aromatic ketone triplets in aqueous solutions of 2,6-di-(O-methyl)-cyclodextrins Academic Article
Endothermic freezing on heating and exothermic melting on cooling Academic Article
Enhanced Foamability of Sodium Dodecyl Sulfate Surfactant Mixed with Superspreader Trisiloxane-(poly)ethoxylate Academic Article
Enhanced capacitive performance of MnO 2 - multiwalled carbon nanotube electrodes, prepared using lauryl gallate dispersant Academic Article
Enhanced high-frequency molecular dynamics in the near-surface region of polystyrene thin films observed with β-NMR Academic Article
Enhanced photocatalytic degradation of dyes by TiO2 nanobelts with hierarchical structures Academic Article
Enhanced photoelectrochemical water splitting efficiency of hematite (α-Fe2O3)-Based photoelectrode by the introduction of maghemite (γ-Fe2O3) nanoparticles Academic Article
Enthalpy relaxation of glassy water Academic Article
Entropy change on the cooling and heating paths between liquid and glass and the residual entropy Academic Article
Entropy of buckminsterfullerene at 0 K Academic Article
Enzymatic transition states and inhibitor design from principles of classical and quantum chemistry Conference Paper
Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys Academic Article
Erratum: Dielectric properties of ice VII and ice VIII and the phase boundary between ice VI and VII [J. Chem. Phys. 61, 4292 (1974)] Academic Article
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
Erratum: Self‐consistent perturbation theory of nuclear spin‐coupling constants: Application to couplings involving fluorine Academic Article
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
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
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
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
Erratum: “Thermodiffusion in multicomponent hydrocarbon mixtures: Experimental investigations and computational analysis” [J. Chem. Phys. 131, 114505 (2009)] Academic Article
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Evidence for electric field-assisted dissociation of the excited singlet state into charge carriers in MEH–PPV Academic Article
Evidence for kinetic effects in the folding of large RNA molecules Academic Article
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Evolution of vibrational properties during a macromolecule’s growth Academic Article
Exact ionization potentials from wavefunction asymptotics: The extended Koopmans’ theorem, revisited Academic Article
Excitation and concentration dependence of the luminescence of chrysene at 77°K Academic Article
Excluded volume effects in compressed polymer brushes: A density functional theory Academic Article
Expanding Role of Dopaminergic Inhibition in Hypercapnic Responses of Cultured Rat Carotid Body Cells: Involvement of Type II Glial Cells Academic Article
Experimental and theoretical studies of the (C 1s⁻¹,π*)³Π state of CO: Momentum transfer dependence and vibrational structure Academic Article
Experimental and theoretical studies of the valence-shell dipole excitation spectrum and absolute photoabsorption cross section of hydrogen fluoride Academic Article
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
Extended energy loss fine structure in reflection electron energy loss spectra of Cu and Ni Academic Article
Extended fine structure of gases by inelastic electron scattering Conference Paper
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Extracellular Heat Shock Proteins as Therapeutic Targets and Biomarkers in Fibrosing Interstitial Lung Diseases Academic Article
Extraordinary Adhesion of Phenylboronic Acid Derivatives of Polyvinylamine to Wet Cellulose: A Colloidal Probe Microscopy Investigation Academic Article
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Faraday Discussions Journal
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Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the hirshfeld-I partitioning of the electron density Academic Article
Fast kinetics studies of the Lewis acid–base complexation of transient stannylenes with σ- and π-donors in solution Academic Article
Fast simulation of dynamic two-dimensional nuclear magnetic resonance spectra for systems with many spins or exchange sites Academic Article
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Fermi-Amaldi model for exchange-correlation: atomic excitation energies from orbital energy differences Academic Article
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Field‐Emission Study of the Adsorption and Decomposition of Ammonia on Tungsten Academic Article
Film deposition mechanisms and properties of optically active chelating polymer and composites Academic Article
Film thickness limits of a buckling-based method to determine mechanical properties of polymer coatings Academic Article
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Flocculation of Polystyrene Latex with Mixtures of Poly(p-vinylphenol) and Poly(ethylene oxide) Academic Article
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Foreword by Proceedings Editors Academic Article
Formation Energies of Antiphase Boundaries in GaAs and GaP: An ab Initio Study Academic Article
Formation of Tectocapsules by Assembly and Cross-linking of Poly(divinylbenzene-alt-maleic anhydride) Spheres at the Oil−Water Interface Academic Article
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Four isomeric [C, H3, O2]+ ions Academic Article
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Fractional electron number, temperature, and perturbations in chemical reactions Academic Article
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From [10]Paracyclophane to Ferrocenophanones: The Search for Molecular Machines and Bio-Organometallic Anticancer Drugs Academic Article
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Functional Effects of Epilepsy Associated KCNT1 Mutations Suggest Pathogenesis via Aberrant Inhibitory Neuronal Activity Academic Article
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Functional constructions with specified functional derivatives Academic Article
Functionalisation, separation and solvation: general discussion Academic Article
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Generalized overlap amplitudes using the extended Koopmans’ theorem for Be Academic Article
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Global and local reactivity descriptors based on quadratic and linear energy models forα,β-unsaturated organic compounds Academic Article
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Hamilton-Jacobi equation for the least-action/least-time dynamical path based on fast marching method Academic Article
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 water in nanopores Academic Article
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Hirshfeld partitioning from non-extensive entropies Academic Article
Hirshfeld-E Partitioning: AIM Charges with an Improved Trade-off between Robustness and Accurate Electrostatics Academic Article
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Initial Hardness Response and Hardness Profiles in the Study of Woodward–Hoffmann Rules for Electrocyclizations Academic Article
Injectable cationic traps and sticky bacterial emulsifiers: A safe alliance during diesel bioremediation Academic Article
Inner and valence shell electronic excitation of dimethyl sulfoxide by electron energy loss and photoabsorption spectroscopies Academic Article
Inner shell electron energy loss studies of HCN and C2N2 Academic Article
Inner shell excitation and ionization of the monohalobenzenes Academic Article
Inner shell excitation of CH 3F, CH 3Cl, CH 3Br and CH 3I by 2.5 keV electron impact Academic Article
Inner shell excitation of SF6 by 2.5 keV electron impact Academic Article
Inner shell excitation of glycine, glycyl-glycine, alanine and phenylalanine Conference Paper
Inner shell excitation of thiophene and thiolane: Gas, solid, and monolayer states Academic Article
Inner shell excitation spectroscopy of molecules using inelastic electron scattering Academic Article
Inner shell excitation spectroscopy of transient molecules: HBS, HBO, and H3B3O3 Academic Article
Inner shell spectroscopy of the carbon—sulfur bond Academic Article
Inner- and valence-shell excitation of SF4 studied by photoabsorption and electron energy loss spectroscopy Academic Article
Inner-shell electron energy loss spectroscopy of organometallic compounds Conference Paper
Inner-shell electron energy-loss spectroscopy of SF6 at very high momentum transfer Academic Article
Inner-shell excitation and EXAFS-type phenomena in the chloromethanes Academic Article
Inner-shell excitation of PF3, PCl3, PCl2CF3, OPF3 and SPF3 Academic Article
Inner-shell excitation of formaldehyde, acetaldehyde and acetone studied by electron impact Academic Article
Inner-shell excitation of gas phase carbonates and α,γ-dicarbonyl compounds Academic Article
Inner-shell excitation of η5-C5H5Co(CO)2 and related compounds studied by gas phase electron energy loss spectroscopy Academic Article
Inner-shell excitation spectroscopy of peroxides Academic Article
Inner-shell spectroscopies of solid and gaseous alkylidyne tricobalt nonacarbonyl complexes Academic Article
Inner-shell spectroscopy of SF4: theory and experiment Academic Article
Inner-shell spectroscopy of compounds containing Si-Si bonds: is there a localised, low-energy Si-Si resonance? Academic Article
Inner‐shell excitations in weak‐bond molecules Academic Article
Instability and thermal conductivity of pressure-densified and elastically altered orientational glass of Buckminsterfullerene Academic Article
Interaction of IgG and albumin with functionalized silicas Academic Article
Interaction of O2 with Pt(100) Academic Article
Interaction of Surfactants with Poly(N-isopropylacrylamide) Microgel Latexes Academic Article
Interaction of antithrombin III in purified solution and in plasma with insoluble modified polystyrene Academic Article
Interaction of fibrinogen with solid surfaces of varying charge and hydrophobic—hydrophilic balance Academic Article
Interaction of fibrinogen with solid surfaces of varying charge and hydrophobic—hydrophilic balance Academic Article
Interaction of supercritical CO2 with alkyl-ammonium organoclays: Changes in morphology Academic Article
Interactions of Apolipoproteins AI, AII, B and HDL, LDL, VLDL with Polyurethane and Polyurethane-PEO Surfaces Academic Article
Interactions of Hydrophobically Modified Polyvinylamine with Pluronic Triblock Copolymer Micelles Academic Article
Intergranular liquid in solids and premelting of ice Academic Article
Intermolecular charge transfer in molecular crystals Academic Article
International Journal of Chemical Kinetics Journal
International Journal of Molecular Sciences Journal
International Journal of Quantum Chemistry Journal
Interparticle Interactions Affecting the Stability of Sludge Flocs Academic Article
Interpolating Hamiltonians in chemical compound space Academic Article
Interpolation of property-values between electron numbers is inconsistent with ensemble averaging Academic Article
Intramolecular motion in the tert-butyl radical as studied by muon spin rotation and level-crossing spectroscopy Academic Article
Intramolecular vibrational redistribution in aromatic molecules. I. Eigenstate resolved CH stretch first overtone spectra of benzene Academic Article
Intrinsic mobility of molecular glasses Academic Article
Introduction Academic Article
Introduction to the Special Issue on Advances in Vacuum Ultraviolet and X-ray Physics Academic Article
Introduction to the special issue on scattering, coincidence and absorption studies of molecules Academic Article
Introduction: Special issue on radiation damage Academic Article
Investigating Autism-Related Symptoms in Children with Prader-Willi Syndrome: A Case Study Academic Article
Investigating electrochemical removal of bacterial biofilms from stainless steel substrates Academic Article
Investigating the Role of Endothelial Glycogen Synthase Kinase3α/β in Atherogenesis in Low Density Lipoprotein Receptor Knockout Mice 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
Investigation of splashing phenomena during the impact of molten sub-micron gold droplets on solid surfaces Academic Article
Ion-Containing Membranes from Microemulsion Polymerization Academic Article
Ionic Liquid Nanotribology: Stiction Suppression and Surface Induced Shear Thinning Academic Article
Ionic effects on the dielectric behaviour of liquid and glassy states of butane-1, 3-diol and glycerol Academic Article
Ionic fragmentation of C 1s excited and ionized formic acid Academic Article
Ionic fragmentation of carbon 1s excited metallocenes Academic Article
Ionic fragmentation of inner shell excited states of CO 2 and N 2 O Academic Article
Ionic fragmentation of inner-shell excited molecules Conference Paper
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Ionic photofragmentation of SO2 in the sulfur 2p and 2s regions Conference Paper
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Ionized impurity induced photocarrier generation in organic energy conversion systems Academic Article
Iron oxyhydroxide colloid formation by gamma-radiolysis Academic Article
Isomeric distonic and H-bridged [C2H6O]+ radical cations Academic Article
Isomeric sensitivity of the C 1s spectra of xylenes Academic Article
Isotope and impurity effects on the glass transition and crystallization of pressure‐amorphized hexagonal and cubic ice Academic Article
Isotope effect on the glass transition and crystallization of hyperquenched glassy water Academic Article
Isotope effects on intensities in the K-shell excitation spectra of CH4 and CD4 studied by 2.5 keV electron impact Academic Article
Israel Journal of Chemistry Journal
Joint treatment of the experimental data on the temperature dependences of heat capacities and enthalpies Academic Article
Journal of Applied Spectroscopy Journal
Journal of Chemical Physics Journal
Journal of Chemical Theory and Computation Journal
Journal of Colloid and Interface Science Journal
Journal of Computational Chemistry Journal
Journal of Dispersion Science and Technology Journal
Journal of Electron Spectroscopy and Related Phenomena Journal
Journal of Fluorescence Journal
Journal of Mathematical Chemistry Journal
Journal of Molecular Liquids Journal
Journal of Molecular Modeling Journal
Journal of Molecular Spectroscopy Journal
Journal of Photochemistry and Photobiology A: Chemistry Journal
Journal of Physical and Chemical Reference Data Journal
Journal of Raman Spectroscopy Journal
Journal of the Chemical Society - Faraday Transactions Journal
K-shell excitation of HCN by electron energy loss spectroscopy Academic Article
K-shell excitation spectra of CO, N2 and O2 Academic Article
Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number Academic Article
Kinetic coefficient of steps at the Si(111) crystal-melt interface from molecular dynamics simulations Academic Article
Kinetic oscillations in oxidation of CO over Pt(100): A study by Rutherford backscattering, nuclear microanalysis, LEED, and work function techniques Academic Article
Kinetic-freezing and unfreezing of local-region fluctuations in a glass structure observed by heat capacity hysteresis Academic Article
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
Kinetics of lamellar formation on sparsely stripped patterns Academic Article
Kinetics of nonisothermal reduction and carburization of WO ₃ ─NiO nano‐composite powders by CO─CO ₂ Academic Article
Kinetics of spontaneous change in the localized motions of D-sorbitol glass Academic Article
Kinetics of yeast detachment from controlled stainless steel surfaces Academic Article
Kohn–Sham exchange-correlation potentials from second-order reduced density matrices Academic Article
K‐shell spectroscopy of Ar clusters Academic Article
Langmuir Journal
Laser determinations of ‘‘hot band’’ quantum yields: Br*(²P_1/2) formation in the continuum absorption of Br₂ at 510–550 nm Academic Article
Legendre-transform functionals for spin-density-functional theory Academic Article
Librational heat capacity of fullerenes in the Einstein model Academic Article
Lifetime measurements with fullerene ions in a heavy-ion storage ring Academic Article
Light-ion neutralization behavior in the 25 to 150 keV range using a medium-energy ion-reflection spectrometer Academic Article
Linear Inequalities for Diagonal Elements of Density Matrices Book
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Linear intensity dependence of photo-induced field emission from tungsten Academic Article
Linearized Coupled Cluster Correction on the Antisymmetric Product of 1-Reference Orbital Geminals Academic Article
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Liquid crystalline bilayers self-assembled from rod–coil diblock copolymers Academic Article
Liquid dewetting under a thin elastic film Academic Article
Local and linear chemical reactivity response functions at finite temperature in density functional theory Academic Article
Local and nonlocal counterparts of global descriptors: the cases of chemical softness and hardness Academic Article
Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory Academic Article
Local hardness equalization: Exploiting the ambiguity Academic Article
Local kinetic energy and local temperature in the density-functional theory of electronic structure Academic Article
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
Localized motions and the loss of chemical and physical metastabilities during ageing of amorphous polymers studied by dielectric measurements Academic Article
Localized relaxation in a glass and the minimum in its orientational polarization contribution Academic Article
Localized relaxations in the glassy states of several molecular materials before and after their polymerization Academic Article
Localized relaxation’s strength and its mimicry of glass-softening thermodynamics Academic Article
Long time tails in canonical ensemble unimolecular decay Academic Article
Long time wave packet dynamics from energy eigenfunctions: Nonuniform energy resolution via adaptive bisection fast Fourier transformation Academic Article
Longitudinal static optical properties of hydrogen chains: Finite field extrapolations of matrix product state calculations Academic Article
Low Dose and Non-Targeted Radiation Effects in Environmental Protection and Medicine—A New Model Focusing on Electromagnetic Signaling Academic Article
Low energy Auger electron spectroscopy of titanium nitrides for quantitative analysis Academic Article
Low energy Auger electron spectroscopy of vanadium nitrides Academic Article
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
Low molecular weight silicones particularly facilitate human serum albumin denaturation Academic Article
Low-energy excitations of guest molecules in clathrates and the Boson peak Academic Article
Low-frequency molecular relaxations in disordered solids Academic Article
Luminescence of benzonitrile, monodeuterobenzonitriles, and perdeuterobenzonitrile at 77°K in polycrystalline matrices Academic Article
Lysozyme-stabilized gold nanoclusters as a novel fluorescence probe for cyanide recognition Academic Article
MMP9 Differentially Regulates Proteins Involved in Actin Polymerization and Cell Migration during TGF-β-Induced EMT in the Lens Academic Article
Macrophage Function and the Role of GSK3 Academic Article
Magnetic Field Landscapes Guiding the Chemisorption of Diamagnetic Molecules Academic Article
Mapping Quantum Chemical Dynamics Problems to Spin-Lattice Simulators Academic Article
Materials analyses and electrochemical impedance of implantable metal electrodes Academic Article
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Measurement of protein adsorption to gold surface by radioiodination methods: suppression of free iodide sorption Academic Article
Measurement of protein adsorption to metals using radioiodination methods: a caveat Academic Article
Measurements on thermodiffusion in ternary hydrocarbon mixtures at high pressure Academic Article
Mechanical properties of 2D aggregates of oil droplets as model mono-crystals Academic Article
Mechanism of Self-Assembly and Rupture of Cross-Linked Microspheres and Microgels at the Oil−Water Interface Academic Article
Mechanisms of PD-L1 Regulation in Malignant and Virus-Infected Cells Academic Article
Mechanisms of radiation-induced surface composition modification in VCr alloys at high and low temperature Academic Article
Mechanisms of selenate adsorption at the imogolite-water interface Academic Article
Melatonin and Hippo Pathway: Is There Existing Cross-Talk? Academic Article
Method for Studying Immunoglobulin G Binding on Hydrophobic Surfaces Academic Article
Method for making 2-electron response reduced density matrices approximatelyN-representable Academic Article
Methods for finding transition states on reduced potential energy surfaces Academic Article
Microbe-Immune Crosstalk: Evidence That T Cells Influence the Development of the Brain Metabolome Academic Article
Microbe–Immune–Stress Interactions Impact Behaviour during Postnatal Development Academic Article
Microbiota-Immune Interactions in Ulcerative Colitis and Colitis Associated Cancer and Emerging Microbiota-Based Therapies Academic Article
Microfluidic production of degradable thermoresponsive poly(N-isopropylacrylamide)-based microgels Academic Article
Microgel Adhesives for Wet Cellulose: Measurements and Modeling Academic Article
Micromechanics: A New Approach to Studying the Strength and Breakup of Flocs Academic Article
Micropatterning of Phase-Segregated Supported Lipid Bilayers and Binary Lipid Phases through Polymer Stencil Lift-Off Academic Article
Microphase separation induced by differential interactions in diblock copolymer/homopolymer blends Academic Article
Microvesicles Contribute to the Bystander Effect of DNA Damage Academic Article
Microwave absorption and molecular structure. LXXXII. The dielectric relaxation mechanisms of benzyl‐ and benzoylpyridines Academic Article
Mimicking the fibrinolytic system on material surfaces Academic Article
Mineral-mineral particle collisions during flotation remove adsorbed nanoparticle flotation collectors Academic Article
Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development Academic Article
Minimizing the effects of RF inhomogeneity and phase transients allows resolution of two peaks in the 1H CRAMPS NMR spectrum of adamantane Academic Article
Minimum number of turbidity measurements required for the determination of particle size distributions Academic Article
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
Modifying thermal transport in electrically conducting polymers: Effects of stretching and combining polymer chains Academic Article
Molecular Orbital Theory for Infinite Systems: Hydrogen‐Bonded Molecular Crystals Academic Article
Molecular Physics Journal
Molecular Simulation Journal
Molecular Structure of Interfacial Human Meibum Films Academic Article
Molecular alignment as a penalized permutation Procrustes problem Academic Article
Molecular dynamics and reaction kinetics during the network structure formation of a diepoxide and diamine mixture under high pressures using dielectric measurements Academic Article
Molecular dynamics modeling of lithium ion intercalation induced change in the mechanical properties of Li_xMn₂O₄ Academic Article
Molecular environment effects on polymerization rates in diepoxide–binary amines compositions by dielectric studies Academic Article
Molecular kinetics during the growth of the macromolecule poly(di-2-hydroxypropyl ether of bisphenol-A–n-hexylamine) studied by dielectric spectroscopy Academic Article
Molecular kinetics in amorphous solids Academic Article
Molecular orbital calculations for the HF crystal Academic Article
Molecular orbital studies on ice-II Academic Article
Molecular orbital theory for infinite molecular aggregates: Application to idealized hexagonal and cubic ices Academic Article
Molecular orbital theory for nonregular polymer chains: Distortions of an infinite chain of hydrogen molecules Academic Article
Molecular orbital theory of nuclear spin coupling constants Academic Article
Molecular simulation for predicting the rheological properties of polymer melts Conference Paper
Molecular simulation of thermal transport across hydrophilic interfaces Academic Article
Molecular simulations of thermal transport across interfaces: solid–vapour and solid–solid Academic Article
Molecular weight dependence of near surface dynamical mechanical properties of polymers Academic Article
Molecular‐Orbital Theory for Infinite Systems: Regular Polymer Chains Academic Article
Monitoring Solute Interactions with Poly(ethylene oxide)-Modified Colloidal Silica Nanoparticles via Fluorescence Anisotropy Decay Academic Article
Monte Carlo sampling for atomic and molecular clusters with fixed energy and angular momentum Academic Article
Monte Carlo simulation of sequential decay processes: Application to argon cluster evaporation at zero pressure Academic Article
Monte-Carlo simulations of polymer crystallization in dilute solution Academic Article
Moving least-squares enhanced Shepard interpolation for the fast marching and string methods Academic Article
Multi-scale modeling and synthesis of polyester ionomers Academic Article
Multiple droplets on a conical fiber: formation, motion, and droplet mergers Academic Article
Muon level-crossing spectroscopy of organic free radicals Academic Article
Mutant p53 Protein and the Hippo Transducers YAP and TAZ: A Critical Oncogenic Node in Human Cancers Academic Article
Mössbauer spectroscopy of KrF2 and KrF2· MF5 (M=As, Sb) Academic Article
Mössbauer spectroscopy of KrF₂ and KrF₂⋅MF₅ (M=As, Sb) Academic Article
N-Chlorinated Poly(N-isopropylacrylamide) Microgels Academic Article
NEXAFS spectromicroscopy of polymers: overview and quantitative analysis of polyurethane polymers Academic Article
NMR crystallography of p-tert-butylcalix[4]arene host–guest complexes using 1H complexation-induced chemical shifts Academic Article
NMR studies of the superconducting state of copper oxide superconductors Academic Article
Nano-encapsulated smart tunable phase change materials Academic Article
Nanodomains within bicontinuous silicone/water microemulsions retard TiO 2 nanoparticle aggregation Academic Article
Nanogels and Microgels: From Model Colloids to Applications, Recent Developments, and Future Trends Academic Article
Nanoparticle Flotation Collectors II: The Role of Nanoparticle Hydrophobicity Academic Article
Nanoparticle Flotation Collectors: Mechanisms Behind a New Technology Academic Article
Nanosecond lipid dynamics in membranes containing cholesterol Academic Article
Natural orbital Fukui function and application in understanding cycloaddition reaction mechanisms Academic Article
Nature of the pressure-induced collapse of an ice clathrate by dielectric spectroscopy Academic Article
Near infrared 3ν₂ overtone band of H⁺₃ Academic Article
Nearly Monodisperse Silica Microparticles Form in Silicone (Pre)elastomer Mixtures Academic Article
Necessary conditions for theN-representability of pair distribution functions Academic Article
Neutral products of ion fragmentations: HCN and HNC identified by collisionally induced dissociative ionization Academic Article
New Fukui, dual and hyper-dual kernels as bond reactivity descriptors Academic Article
New colloidal route for electrostatic assembly of oxide nanoparticle – carbon nanotube composites Academic Article
New developments in liquid-liquid extraction, surface modification and agglomerate-free processing of inorganic particles Academic Article
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New strategy of nanolithographyvia controlled block copolymerself-assembly Academic Article
Newton trajectories for finding stationary points on molecular potential energy surfaces Academic Article
Nine questions on energy decomposition analysis Academic Article
Niobium pentoxide and hydroxyapatite particle loaded electrospun polycaprolactone/gelatin membranes for bone tissue engineering Academic Article
Non-empirical molecular orbital theory of the electronic structure of molecular crystals Academic Article
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
Non-exponential relaxation, fictive temperatures, and dispersive kinetics in the liquid-glass-liquid transition range of acetaminophen, sulfathiazole, and their mixtures Academic Article
Non-normal Lanczos methods for quantum scattering Academic Article
Nonempirical molecular orbital calculations for hydrogen bonded molecular solids: Molecular dipole and quadrupole moments for solid HF and HCl Academic Article
Nonequilibrium molecular dynamics simulation for studying the effect of pressure difference and periodic boundary conditions on water transport through a CNT membrane Academic Article
Nonequilibrium molecular dynamics simulation of pressure-driven water transport through modified CNT membranes Academic Article
Nonequilibrium molecular dynamics simulation of water transport through carbon nanotube membranes at low pressure Academic Article
Nonstatistical inversion dynamics of T‐shaped Ar₃ Academic Article
Nonstatistical inversion dynamics of T‐shaped Ar₃. II. Separatrix transition states Academic Article
Nonstatistical unimolecular decay in quasiperiodic systems Academic Article
Nonuniqueness of magnetic fields and energy derivatives in spin-polarized density functional theory Academic Article
Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function Academic Article
Normal coordinate analysis of the Raman and infrared vibrations of the alpha phases of RE2O3 (RELa, Pr, Nd) and RE2O2S (RELa and Yb) Academic Article
Not All Anionic Polyelectrolytes Complex with DTAB Academic Article
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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Novel high performance reduced graphene oxide based nanocatalyst decorated with Rh2O3/Rh-NPs for CO2 photoreduction Academic Article
Nuclear Magnetic Resonance Study of V₂O₅ Academic Article
Nuclear Spin Conversion in CH₄by Neutron Scattering Academic Article
Nucleation of stable cylinders from a metastable lamellar phase in a diblock copolymer melt Academic Article
Numerical integration of exchange-correlation energies and potentials using transformed sparse grids Academic Article
Numerical simulation of phase separation coupled with crystallization Academic Article
Nurr1 Is Not an Essential Regulator of BDNF in Mouse Cortical Neurons Academic Article
O-protonated sulfine CH2=S=OH+. Its generation from ionized dimethylsulfoxide by delayed dissociation Academic Article
Obituary Academic Article
Observation of the 3ν2 ← 0 overtone band of H3+ Academic Article
On formulating ophthalmic emulsions Academic Article
On the Formation of Colloidally Dispersed Phase-Separated Poly(N-isopropylacrylamide) 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-Line Particle Diameter for Poly(Vinyl Acetate) Latex Using Specific Turbidity Method Academic Article
One-step preparation of gold nanovectors using folate modified polyethylenimine and their use in target-specific gene transfection Academic Article
One-step surface modification strategy with composition-tunable microgels: From bactericidal surface to cell-friendly surface Academic Article
Optical birefringence in the solid isotopic methanes Academic Article
Optimization of analysis of soft X-ray spectromicroscopy at the Ca 2p edge Academic Article
Optimizing the Acquisition and Analysis of Confocal Images for Quantitative Single-Mobile-Particle Detection Academic Article
Optochemical Organization in a Spatially Modulated Incandescent Field: A Single-Step Route to Black and Bright Polymer Lattices Academic Article
Orbital energies and nuclear forces in DFT : Interpretation and validation Academic Article
Ordered alloy films of Ni and Mn grown on Ni(111)/W(110) Academic Article
Ordering kinetics of block copolymers directed by periodic two-dimensional rectangular fields Academic Article
Organic photovoltaics and energy: general discussion Academic Article
Orientation polarization from faster motions in the ultraviscous and glassy diethyl phthalate and its entropy Academic Article
Oriented crystallization of ultra-thin (2 nm) gold nanoplatelets inside a reactive hydrophobic polymeric matrix Academic Article
Origin of epitaxies between ordered phases of block copolymers Academic Article
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
Origins of Spin Noise Conference Paper
Oxygen K-shell excitation spectroscopy of hydrogen peroxide Academic Article
Oxygen and Carbon Dioxide Dual Gas-Responsive and Switchable Microgels Prepared from Emulsion Copolymerization of Fluoro- and Amino-Containing Monomers Academic Article
P 1s spectroscopy of SPF3: spectral assignments aided by angle-resolved photodissociation Academic Article
PEO Flocculation of Polystyrene-Core Poly(vinylphenol)-Shell Latex: An Example of Ideal Bridging Academic Article
PEO Flocculation with Phenolic Microparticles Academic Article
PITHIA: Protein Interaction Site Prediction Using Multiple Sequence Alignments and Attention Academic Article
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Particle sizes and electrophoretic mobilities of poly(N-isopropylacrylamide) latex Academic Article
Partitioning of caffeine in lipid bilayers reduces membrane fluidity and increases membrane thickness Academic Article
Partitioning of ethanol into lipid membranes and its effect on fluidity and permeability as seen by X-ray and neutron scattering Academic Article
Partitioning of the molecular density matrix over atoms and bonds Academic Article
Passivation of Plasmonic Colors on Bulk Silver by Atomic Layer Deposition of Aluminum Oxide Academic Article
Patchy nanoparticles self-assembled from linear triblock copolymers under spherical confinement: a simulated annealing study Academic Article
Pathways connecting two opposed bilayers with a fusion pore: a molecularly-informed phase field approach Academic Article
Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory Academic Article
Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods Academic Article
Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity" Academic Article
Perturbative perspectives on the chemical reaction prediction problem Conference Paper
Perturbed Angular Correlation Study of the Environment of ¹¹¹Cd Nuclei in Ice Academic Article
Phase Behavior of Binary Blends of Diblock Copolymer/Homopolymer Confined in Spherical Nanopores Academic Article
Phase Separation and Fractal Domain Formation in Phospholipid/Diacetylene-Supported Lipid Bilayers Academic Article
Phase behavior of semiflexible-coil diblock copolymers: a hybrid numerical SCFT approach Academic Article
Phase behaviors and ordering dynamics of diblock copolymer self-assembly directed by lateral hexagonal confinement Academic Article
Phase equilibria in DOPC/DPPC: Conversion from gel to subgel in two component mixtures Academic Article
Phase transition and entropy of amorphous ices Academic Article
Phenomenology and mechanism of the transient adsorption of fibrinogen from plasma (Vroman effect) Academic Article
Phenomenology of addition polymerization Academic Article
Phosphonic anchoring groups in organic dyes for solid-state solar cells Academic Article
Phosphorescence lifetimes of halogen monosubstituted phenylacetylenes Academic Article
Photocatalytic paper from colloidal TiO2—fact or fantasy Academic Article
Photochemical separation and co-precipitation of lanthanides in nitric acid solution Conference Paper
Photochemistry of benzophenone in micelles. Phosphorescence emission from aromatic ketones in micellar solution Academic Article
Photoelectron spectroscopy and density functional calculations of FenBO2− clusters Academic Article
Photoelectron study of the valence level cross sections of XeF₂ from 21 to 50 eV photon energy Academic Article
Photoenhanced ozone loss on solid pyrene films Academic Article
Photofield emission spectroscopy of surface electronic states of tungsten Academic Article
Photoflocculation of TiO₂ Microgel Mixed Suspensions Academic Article
Photofragmentation of OCS at the S 1s edge Conference Paper
Photon-stimulated desorption of Na atoms from NaCl following core-level excitation Academic Article
Photophysical properties of dibenzotropylium cation incorporated within acidic ZSM-5 zeolite Academic Article
Photo‐ and Radiation‐Induced cis—trans Isomerization of Several 2‐Olefins Academic Article
Physical Chemistry Chemical Physics Journal
Physico-chemical aspects of dielectric and thermodynamic changes during high-temperature polymerization and their technical use Academic Article
Physicochemical Characterization of Ferrocifen Lipid Nanocapsules: Customized Drug Delivery Systems Guided by the Molecular Structure Academic Article
Physics of linear-chain and network polymerization by dielectric spectroscopy Academic Article
Pickering Emulsion Templated Interfacial Atom Transfer Radical Polymerization for Microencapsulation Academic Article
Pickering Emulsion Templated Layer-by-Layer Assembly for Making Microcapsules Academic Article
Picosecond Imaging of Photoexcited-Carrier Transport in GaAs/AlGaAs Multiple Quantum Wells Conference Paper
Picosecond fluorescence spectroscopy with a CW laser and a radio — a simple technique Academic Article
Plasminogen Adsorption to Sulfonated and Lysine Derivatized Model Silica Glass Materials Academic Article
Plasmonics Journal
Plateau-Rayleigh instability in a torus: formation and breakup of a polymer ring Academic Article
Pointing the way to the products? Comparison of the stress tensor and the second-derivative tensor of the electron density Academic Article
Polarization dependence of photoexcitation in photofield emission Academic Article
Polarization dependence of the Si K-edge X-ray absorption spectra of Si-Ge atomic layer superlattices Academic Article
Poly(N-isopropylacrylamide) Microgels at the Air−Water Interface Academic Article
Poly(N-isopropylacrylamide) at the Air/Water Interface Academic Article
Poly(N-isopropylacrylamide) (PNIPAM) is never hydrophobic Academic Article
Poly(N-isopropylacrylamide) Latices Prepared with Sodium Dodecyl Sulfate Academic Article
Polyelectrolyte complex characterization with isothermal titration calorimetry and colloid titration Academic Article
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Polyvinylamine−Phenylboronic Acid Adhesion to Cellulose Hydrogel Academic Article
Position-dependent energy of molecules in nano-confined water 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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Preface Conference Paper
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Preface Academic Article
Preferential ion and water intake using charged carbon nanotubes Academic Article
Prenatal Exposure to Delta-9-tetrahydrocannabinol (THC) Alters the Expression of miR-122-5p and Its Target Igf1r in the Adult Rat Ovary Academic Article
Preparation and characterization of polystyrene–poly(p-acetoxystyrene) and polystyrene–poly(p-vinylphenol) composite latex particles 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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ProNGF, but Not NGF, Switches from Neurotrophic to Apoptotic Activity in Response to Reductions in TrkA Receptor Levels Academic Article
Probing local structures of siliceous zeolite frameworks by solid-state NMR and first-principles calculations of 29Si–O–29Si scalar couplings Academic Article
Probing platinum degradation in polymer electrolyte membrane fuel cells by synchrotron X-ray microscopy Academic Article
Probing the Hydration of Ultrathin Antifouling Organosilane Adlayers using Neutron Reflectometry Academic Article
Probing the Local Structure of Pure Ionic Liquid Salts with Solid- and Liquid-State NMR Academic Article
Progress in Surface Science Journal
Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal Academic Article
Properties of Poly(N-isopropylacrylamide)-Grafted Colloidal Silica Academic Article
Properties of the density functional response kernels and its implications on chemistry 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
Protein resistant polyurethane surfaces by chemical grafting of PEO: amino-terminated PEO as grafting reagent Academic Article
Protein-Based Aqueous−Multiphasic Systems Academic Article
Protein-Resistant Poly(ethylene oxide)-Grafted Surfaces: Chain Density-Dependent Multiple Mechanisms of Action Academic Article
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Protein−Silicone Interactions: How Compatible Are the Two Species? Academic Article
Protein−Silicone Synergism at Liquid/Liquid Interfaces Academic Article
Pulsed photoconductivity action spectra of β‐metalfree phthalocyanine thin films Academic Article
Quantifying Surface Coverage of Colloidal Silica by a Cationic Peptide Using a Combined Centrifugation/Time-Resolved Fluorescence Anisotropy Approach Academic Article
Quantitative auger electron analysis of titanium nitrides Academic Article
Quantitative structural determination using spin-polarized low-energy electron diffraction rotation curves: W(110) Academic Article
Quantum topological resolution of catalyst proficiency Academic Article
Quartz crystal microbalance study of protein adsorption kinetics on poly(2-hydroxyethyl methacrylate) Academic Article
Quasi-Newton parallel geometry optimization methods Academic Article
Quasi-elastic electron scattering from atoms and molecules Conference Paper
Quasielastic electron scattering from methane, methane-d4, methane-d2, ethylene, and 2-methylpropane Academic Article
Quenching Studies of Hydrophobically-Modified Poly(N-isopropylacrylamides) Academic Article
Radiation damage in soft X-ray microscopy Academic Article
Radiation damage yields across the carbon 1s excitation edge Academic Article
Radiationless Transitions and Deuterium Effect on Fluorescence Lifetimes of Some Aromatic Hydrocarbons Academic Article
Radiationless Transitions and Deuterium Effect on Luminescence of Some Aromatics Academic Article
Raman spectra of tetrathiofulvalene (TTF) Academic Article
Random and Graft Cationic Polyacrylamide Microgel Flocculants Academic Article
Ranking the energy minima of the 20 natural amino acids using conceptual tools Academic Article
Rationalization of Diels–Alder reactions through the use of the dual reactivity descriptor Δf(r) Academic Article
Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory Academic Article
Real time dielectric spectroscopy and bond connectivity during polymerization of stoichiometric and amine-rich, diepoxide–diamine compositions Academic Article
Real-space self-consistent mean-field theory study of ABC star triblock copolymers Academic Article
ReaxFF Molecular Dynamics Simulation for the Graphitization of Amorphous Carbon: A Parametric Study Academic Article
Recombination Lifetime of Laser‐Stimulated Recombination Luminescence in a Rigid Organic Solution Academic Article
Regulating block copolymer phases via selective homopolymers Academic Article
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Relationship between spatial structure and pharmacological activity of a series of ?-adrenomimetics Academic Article
Relationships between the third-order reactivity indicators in chemical density-functional theory Academic Article
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Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties Academic Article
Relaxation and crystallization of water in a hydrogel Academic Article
Relaxation during polymerization on slow heating and the vibrational heat capacity of the polymers Academic Article
Relaxation rates in chaotic and quasiperiodic systems Academic Article
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Relaxations and nano-phase-separation in ultraviscous heptanol-alkyl halide mixture Academic Article
Removal of Cd2+ from synthetic wastewater using micellar-enhanced ultrafiltration with hollow fiber membrane Academic Article
Reorientation phenomena in imidazolium methyl sulfonate as probed by advanced solid-state NMR Academic Article
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Research on Chemical Intermediates Journal
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
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 “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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Reversible Flocculation with Hydroxypropyl Guar−Borate, A Labile Anionic Polyelectrolyte Academic Article
Revisiting the definition of local hardness and hardness kernel Academic Article
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Richardson–Gaudin mean-field for strong correlation in quantum chemistry Academic Article
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
SCI: a robust and reliable density-based descriptor to determine multiple covalent bond orders Academic Article
SERS-active Ag/Au bimetallic nanoalloys on Si/SiOx Academic Article
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STRUCTURE OF CHEMICALLY PREPARED PASSIVATION LAYERS ON SINGLE CRYSTAL SEMICONDUCTOR SURFACES Conference Paper
SURFACE STUDIES BY CORE-EXCITATION REFLECTION ELECTRON ENERGY LOSS SPECTROSCOPY Conference Paper
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Saturation coverage of deuterium on Ni(110) Academic Article
Scaling behavior of polyelectrolytes and polyampholytes: Simulation by an ensemble growth method Academic Article
Scaling properties of information-theoretic quantities in density functional reactivity theory Academic Article
Scanning Probe Microscopy: The Lab on a Tip Academic Article
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Selective adsorption of protein on polymer surfaces studied by soft X-ray photoemission electron microscopy Conference Paper
Self consistent field perturbation theory for Frenkel and charge transfer states of hydrogen bonded crystals Academic Article
Self-assembled morphologies of ABA triblock copolymer brushes in selective solvents Academic Article
Self-assembled morphologies of diblock copolymers confined in nanochannels: Effects of confinement geometry Academic Article
Self-assembly of block copolymers Academic Article
Self-assembly of diblock copolymers confined in cylindrical nanopores Academic Article
Self-assembly of diblock copolymers under confinement Academic Article
Self-assembly of grafted Y-shaped ABC triblock copolymers in solutions Academic Article
Self-consistent field theory of polymer-ionic molecule complexation Academic Article
Self‐Consistent Perturbation Theory of Nuclear Spin‐Coupling Constants: Application to Couplings Involving Carbon and Fluorine Academic Article
Self‐quenching of nitrobenzoxadiazole labeled phospholipids in lipid membranes Academic Article
Semiclassical localization in a one‐dimensional random analytic potential Academic Article
Semiempirical Molecular‐Orbital Theory of Molecular Spectra. II. Approximate Open‐Shell Theory Academic Article
Separation of plasmid DNA isoforms by highly converging flow through small membrane pores Academic Article
Shape variation of micelles in polymer thin films Academic Article
Shift equations iteration solution to n-level close coupled equations, and the two-level nonadiabatic tunneling problem revisited Academic Article
Short range ballistic motion in fluid lipid bilayers studied by quasi-elastic neutron scattering Academic Article
Should negative electron affinities be used for evaluating the chemical hardness? Academic Article
Si K-edge and Ge K-edge X-ray absorption spectroscopy of the SiGe interface in [(Si)m(Ge)n]p atomic layer superlattices Academic Article
Si core-level excitation of hexamethyldisilane studied by synchrotron radiation and multiple-scattering X α calculation Academic Article
Silicone Microemulsion Structures Are Maintained During Polymerization with Reactive Surfactants Academic Article
Silicone foams stabilized by surfactants generated in situ from allyl-functionalized PEG Academic Article
Silicone stabilized poly(methyl methacrylate) nonaqueous latex Academic Article
Silicone stabilized poly(methyl methacrylate) nonaqueous latexes Academic Article
Silicone-modified starch/protein microparticles: protecting biopolymers with a hydrophobic coating Academic Article
Silicone−Protein Films: Establishing the Strength of the Protein−Silicone Interaction Academic Article
Silicone−Protein Interaction at the Interface between a Functional Silicone and a Protein/Starch Microparticle Academic Article
Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals Academic Article
Simplification through complexity: the role of Ni-complexes in catalysed diyne–cyclobutanone [4+2+2] cycloadditions, a comparative DFT study Academic Article
Simulated Annealing Study of Diblock Copolymer Thin Films Confined between Two Homogeneous Surfaces Academic Article
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Simulated annealing study of morphological transitions of diblock copolymers in solution Academic Article
Simulation of ionic diffusion in solid polymer electrolytes with correlated chain motion Academic Article
Simulation of many-spin system dynamics via sparse matrix methodology Academic Article
Simulations reveal the role of composition into the atomic-level flexibility of bioactive glass cements Conference Paper
Simultaneous pH and Temperature Measurements Using Pyranine as a Molecular Probe Academic Article
Single-wall carbon nanotubes synthesis by means of UV laser vaporization Academic Article
Singlet ground state actinide chemistry with geminals Academic Article
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Singularities in the lineshape of a second-order perturbed quadrupolar nucleus. The magic-angle spinning case Academic Article
Slope to intercept ratio of low-field photogeneration efficiency in β-metal-free phthalocyanine Academic Article
Small-scale structure in fluid cholesterol–lipid bilayers Academic Article
Smooth models for the Coulomb potential Academic Article
Sodium deoxycholate as a versatile dispersing and coating-forming agent: A new facet of electrophoretic deposition technology Academic Article
Sodium dodecyl sulfate binding to poly(N-isopropylacrylamide) microgel latex studied by isothermal titration calorimetry Conference Paper
Soft Confinement-Induced Morphologies of Diblock Copolymers Academic Article
Soft Matter Journal
Soft X-ray microscopy and spectroscopy at the molecular environmental science beamline at the Advanced Light Source Academic Article
Soft X-ray spectromicroscopy and ptychography Academic Article
Soft X-ray spectromicroscopy development for materials science at the Advanced Light Source Academic Article
Soft X-ray spectromicroscopy of biological and synthetic polymer systems Conference Paper
Soft polymer magnetic nanocomposites: microstructure patterning by magnetophoretic transport and self-assembly Academic Article
Solid State Nuclear Magnetic Resonance Journal
Solubility of cholesterol in lipid membranes and the formation of immiscible cholesterol plaques at high cholesterol concentrations Academic Article
Sorption of neptunium on bentonite and its migration in geosphere Academic Article
Sorption of nonylphenol on Na-Montmorillonite Conference Paper
Spatially resolved surface valence gradient and structural transformation of lithium transition metal oxides in lithium-ion batteries Academic Article
Specific heat of hydrated lysozyme, water's contribution to its dynamics, and criteria for glass formation of biomaterials Academic Article
Specific heat relaxation of an alcohol and implications for dielectric comparison Academic Article
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy Journal
Sphingosine-1-Phosphate Receptor 1, Expressed in Myeloid Cells, Slows Diet-Induced Atherosclerosis and Protects against Macrophage Apoptosis in Ldlr KO Mice Academic Article
Spike effects in heavy-ion sputtering of Ag, Au and Pt thin films Academic Article
Spin Isomerization and the Second Transition in Solid CH₄ Academic Article
Spin-polarized angle-resolved photoemission from the (110) surface of platinum Academic Article
Spontaneous decrease in the heat capacity of a glass Academic Article
Spontaneous liquifaction of isomerizable molecular crystals Academic Article
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Spontaneously Formed Unilamellar Vesicles with Path-Dependent Size Distribution Academic Article
Spontaneously Forming Ellipsoidal Phospholipid Unilamellar Vesicles and Their Interactions with Helical Domains of Saposin C Academic Article
Springer Series in Chemical Physics Journal
Stability conditions for density functional reactivity theory: An interpretation of the total local hardness Academic Article
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Stabilization of Lipid Membranes through Partitioning of the Blood Bag Plasticizer Di-2-ethylhexyl phthalate (DEHP) Academic Article
Stabilization of α-Chymotrypsin and Lysozyme Entrapped in Water-in-Silicone Oil Emulsions Academic Article
State of water at 136 K determined by its relaxation time Academic Article
Static magnetic fields enhance lipid order in native plant plasma membrane Academic Article
Statistical dynamical theory of isomerization Academic Article
Statistical dynamics and kinetics of unimolecular processes Academic Article
Statistical dynamics of classical systems: A self-consistent field approach Academic Article
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Steric self-assembly of laterally confined organic semiconductor molecule analogues Academic Article
Stockholder projector analysis: A Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors Academic Article
Stoichiometrically controlled production of bimetallic Gold-Silver alloy colloids using micro-alga cultures Academic Article
Strain-effect for controlled growth mode and well-ordered structure of quaterrylene thin films Academic Article
Strategies for computing chemical reactivity indices Academic Article
Strategies for improving electrophoresis data from the Coulter DELSA Academic Article
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Streaming potential sensing in paper-based microfluidic channels Academic Article
Structural Properties of Inverted Hexagonal Phase: A Hybrid Computational and Experimental Approach Academic Article
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Structural and electronic properties of atomic-size wires at low temperatures Conference Paper
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Structural fluctuations and orientational glass of levoglucosan—High stability against ordering and absence of structural glass Academic Article
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
Structure of Sodium Dodecyl Sulfate Bound to a Poly(NIPAM) Microgel Particle Academic Article
Structure of aqueous MgSO4 solution: Dilute to concentrated 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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Study of organic reactions using chemical reactivity descriptors derived through a temperature-dependent approach Academic Article
Study of the Interaction of Ammonia with Tungsten Surfaces by Thermal Desorption Spectrometry 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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Sulfur and chlorine K-shell x-ray absorption spectra of SCl2, S2Cl2, SOCl2, and SO2Cl2 Academic Article
Sum rules for exchange and correlation potentials Academic Article
Superspreaders Versus “Cousin” Non-Superspreaders: Disjoining Pressure in Gravitational Film Drainage Academic Article
Surface Behavior of Boronic Acid-Terminated Silicones Academic Article
Surface Review and Letters Journal
Surface Science Journal
Surface and bulk relaxation of vapor-deposited polystyrene glasses Academic Article
Surface and colloidal properties of hydrosilane-modified Stöber silica Academic Article
Surface hydroxylation of polyethylene by plasma polymerization of allyl alcohol and subsequent silylation Academic Article
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Surface modifications of Nitinol for biomedical applications Academic Article
Surface phases of Ni(110) induced by adsorption of deuterium Academic Article
Surface relaxation of the platinum (100)−(1 × 1) surface at 175 k Academic Article
Surface segregation and preferential sputtering in CrMo alloys Academic Article
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Surfactant-enhanced cellulose nanocrystal Pickering emulsions 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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TEM imaging of unstained DNA nanostructures using suspended graphene Academic Article
Tailored grids for numerical simulation of quantum molecular dynamics Academic Article
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Temperature dependence of intersystem crossing in substituted anthracenes Academic Article
Temperature dependence of photoluminescence efficiency in doped and blended organic thin films Academic Article
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Template-Controlled Synthesis of Superparamagnetic Goethite within Macroporous Polymeric Microspheres Academic Article
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Tests for thermodynamic state of water’s high-density amorph 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 adsorption and desorption of oxygen on the Pt(110) surface; A thermal desorption and LEED/AES study Academic Article
The adsorption, desorption, and exchange reactions of oxygen, hydrogen, and water on platinum surfaces 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 dielectric and dynamic mechanical behaviour of molecularly disordered phases Academic Article
The dielectric behavior of vapor‐deposited amorphous solid water and of its crystalline forms 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 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 electrostatic interaction energy of water molecules in polymorphs of ice 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 influence of PEO/poly(vinyl phenol-co-styrene sulfonate) aqueous complex structure on flocculation 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 orientational correlation parameter and the dipole moment of a water molecule in ice VI Academic Article
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The physical basis of the hard/soft acid/base principle Conference Paper
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Theoretica Chimica Acta Journal
Theoretical Chemistry Accounts Journal
Theoretical and Computational Chemistry Journal
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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
Thermal conductivity of a polymerizing liquid Academic Article
Thermal transport through a fluid–solid interface Academic Article
Thermally Induced Phase Transition of Carborane-Functionalized Aliphatic Polyester Dendrimers in Aqueous Media Academic Article
Thermochemical Analysis of Molybdenum Thin Films on Porous Alumina Academic Article
Thermodiffusion in multicomponent hydrocarbon mixtures: Experimental investigations and computational analysis Academic Article
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Tight constraints on the exchange-correlation potentials of degenerate states Academic Article
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