Langevin dipoles model for ab initio calculations of chemical processes in solution: Parametrization and application to hydration free energies of neutral and ionic solutes and conformational analysis in aqueous solution

Journal of Physical Chemistry B

Volumn 101, Issue 28, 1997, Pages 5583-5595

  Florián, Jan ^a   Warshel, Arieh ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION EFFECTS; COMPUTATIONAL METHODS; CONFORMATIONS; FREE ENERGY; ITERATIVE METHODS; POLARIZATION; SOLUTIONS; SOLVENTS;

LANGEVIN DIPOLE; NONITERATIVE METHODS; PARAMETRIZATION;

HYDRATION;

EID: 0031187388     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9705075     Document Type: Article

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