Hirshfeld partitioning from non-extensive entropies Journal Articles

authors

• Heidar-Zadeh, Farnaz
• Vinogradov, Ivan
• Ayers, Paul

status

• published 

publication date

• April 2017

has subject area

• 0307 Theoretical and Computational Chemistry (FoR)
• Chemical Physics (Science Metrix)

published in

• Theoretical Chemistry Accounts  Journal

keywords

• ATOMS
• Atomic charges
• Atoms in molecules
• Chemistry
• Chemistry, Physical
• DENSITY-FUNCTIONAL THEORY
• H-divergence
• Hirshfeld partitioning
• INFORMATION-THEORETIC ANALYSIS
• Information theory
• KINETIC-ENERGY
• Non-extensive entropy
• Physical Sciences
• QUANTUM-THEORY
• REACTIVITY THEORY
• RENYI ENTROPY
• Reyni entropy
• SHANNON-INFORMATION
• SHAPE FUNCTION
• SURPRISAL ANALYSIS
• Science & Technology
• Sharma-Mittal entropy
• Stockholder population analysis
• Supraextensive entropy
• Tsallis entropy

Digital Object Identifier (DOI)

• 10.1007/s00214-017-2077-z

volume

• 136

issue

• 4