Free energy decomposition analysis of bonding and nonbonding interactions in solution

Journal of Chemical Physics

Volumn 137, Issue 3, 2012, Pages

  Su, Peifeng ^a   Liu, Hui ^a   Wu, Wei ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; FREE ENERGY; MOLECULAR ORBITALS; SOLVATION; VAN DER WAALS FORCES;

COMPUTATIONAL RESULTS; CONTINUUM MODEL; DECOMPOSITION ANALYSIS; DESOLVATION; ENERGY DECOMPOSITION; ENERGY DECOMPOSITION ANALYSIS; FUNCTIONALS; GASPHASE; INTEGRAL EQUATION FORMULATION; INTERACTION ANALYSIS; INTERACTION ENERGIES; INTERMOLECULAR INTERACTIONS; IONIC INTERACTION; NON-BONDING INTERACTIONS; POLARIZABLE CONTINUUM MODEL; SOLVATION EFFECT;

HYDROGEN BONDS;

EID: 84962408653     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4736533     Document Type: Article

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