Toward a molecular orbital derived empirical potential for liquid simulations

Journal of Physical Chemistry B

Volumn 101, Issue 4, 1997, Pages 657-663

  Gao, Jiali ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; LIQUIDS; MATHEMATICAL MODELS; MOLECULES; POLARIZATION; QUANTUM THEORY;

ANTISYMMETRIC DETERMINANT WAVE FUNCTION; LIQUID SIMULATIONS; MOLECULAR MECHANICS (MM); MOLECULAR ORBITAL DERIVED EMPIRICAL POTENTIAL FOR LIQUID SIMULATIONS;

MOLECULAR DYNAMICS;

EID: 0030734211     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962833a     Document Type: Article

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