A self-consistent reaction field model of solvation using distributed multipoles. I. Energy and energy derivatives

Journal of Chemical Physics

Volumn 120, Issue 5, 2004, Pages 2343-2350

  Rinaldi, Daniel ^a   Bouchy, Alain ^a   Rivail, Jean Louis ^a   Dillet, Valerie ^b  

^a NANCY UNIVERSITÉ   (France)

^b UNIVERSITÉ JOSEPH FOURIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTROSTATICS; FREE ENERGY; HYDRATION; MATRIX ALGEBRA; MOLECULAR PHYSICS; MOLECULAR STRUCTURE; NONLINEAR SYSTEMS; PERMITTIVITY; PROBABILITY DENSITY FUNCTION; PROTEINS;

SELF CONSISTENT REACTION FIELDS (SCRF); SOLVATION DYNAMICS;

ELECTRONIC STRUCTURE;

EID: 84961986316     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1635355     Document Type: Article

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