Calculation of solvation free energies of charged solutes using mixed cluster/continuum models

Journal of Physical Chemistry B

Volumn 112, Issue 32, 2008, Pages 9709-9719

  Bryantsev, Vyacheslav S ^a   Diallo, Mamadou S ^a,b   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b Howard University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ERRORS; FREE ENERGY; MOLECULES; MONOMERS; SOLVATION; SYSTEMATIC ERRORS; THERMODYNAMIC PROPERTIES; THERMODYNAMICS;

SOLVATION FREE ENERGIES; WATER MOLECULES;

IONIZATION OF LIQUIDS;

EID: 50549095337     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp802665d     Document Type: Article

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