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A statistical thermodynamics view of electron density polarisation: application to chemical selectivity
Frédéric Guégan
, Vincent Tognetti
,
Jorge I. Martínez-Araya
, Henry Chermette
, Lynda Merzoud
, Alejandro Toro-Labbé
, Christophe Morell
Exact Sciences School
Universidad Andrés Bello
Centro de Química Teórica y Computacional
Research output
:
Contribution to journal
›
Article
›
peer-review
13
Citations (Scopus)
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Keyphrases
Electron Density
100%
Chemical Selectivity
100%
Statistical Thermodynamics
100%
Heat Exchange
100%
Conceptual Density Functional Theory
33%
Excited States
33%
Theory Framework
33%
General Rules
33%
Perturbation Theory
33%
Polarisability
33%
Work Exchange
33%
Intermolecular Electrostatic Interactions
33%
Chemistry
Electron Density
100%
Statistical Thermodynamics
100%
Density Functional Theory
50%
Excited State
50%
Electrostatic Interaction
50%
k·p perturbation theory
50%
Engineering
Heat Exchange
100%
Excited State
33%
Electrostatics
33%
Rule of Thumb
33%
Biochemistry, Genetics and Molecular Biology
Heat Exchange
100%
Static Electricity
33%
Heuristics
33%