Heterogeneous conductorlike solvation model

Journal of Chemical Physics

Volumn 131, Issue 4, 2009, Pages

  Si, Dejun ^a   Li, Hui ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; GEOMETRY; MOLECULAR DYNAMICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

ANALYTIC EXPRESSIONS; CAVITY SURFACES; CONDUCTOR-LIKE SCREENING; DESOLVATION; ENERGY GRADIENTS; FIXED POINTS; GEOMETRY OPTIMIZATION; HARTREE-FOCK; HETEROGENEOUS MODELS; KOHN SHAM METHODS; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABLE CONTINUUM MODEL; QUANTUM CHEMICAL; QUANTUM MODELS; REDUCTION POTENTIAL; SOLVATION MODELS; VARIABLE AREA; VARIATIONAL TREATMENT;

SOLVATION;

EID: 84962464635     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3187527     Document Type: Article

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