Accurate transferable model for water, n-octanol, and n-hexadecane solvation free energies

Journal of Physical Chemistry B

Volumn 106, Issue 42, 2002, Pages 11009-11015

  Bordner, A J ^a   Cavasotto, C N ^b   Abagyan, R A ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

^b MOLSOFT LLC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MOLECULES; NUMERICAL METHODS; OPTIMIZATION; WATER;

CONTINUUM ELECTROSTATICS MODEL; HEXADECANE; OCTANOL; SOLVATION FREE ENERGIES;

FREE ENERGY;

EID: 0037167860     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0264477     Document Type: Article

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