Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models

Journal of Chemical Physics

Volumn 141, Issue 13, 2014, Pages

  Sundararaman, Ravishankar ^a   Gunceler, Deniz ^a   Arias, T A ^a  

^a Cornell University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHLORINE COMPOUNDS; DISPERSIONS; FREE ENERGY; MOLECULES; SOLVATION;

AB INITIO CALCULATIONS; CONTINUUM SOLVATION MODELS; DISPERSION ENERGIES; FIRST-PRINCIPLES CALCULATION; INDEPENDENT PARAMETERS; NONLOCAL DIELECTRIC RESPONSE; SOLVATION FREE ENERGIES; WEIGHTED DENSITY APPROXIMATION;

ORGANIC SOLVENTS;

CARBON TETRACHLORIDE; CHLOROFORM; SOLVENT; WATER;

CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; SOLUBILITY; STATIC ELECTRICITY; THERMODYNAMICS;

CARBON TETRACHLORIDE; CHLOROFORM; MODELS, CHEMICAL; MODELS, MOLECULAR; SOLUBILITY; SOLVENTS; STATIC ELECTRICITY; THERMODYNAMICS; WATER;

EID: 84907828117     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4896827     Document Type: Article

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