Effects of conformational distributions on sigma profiles in COSMO theories

Journal of Physical Chemistry A

Volumn 109, Issue 49, 2005, Pages 11285-11294

  Wang, Shu ^a   Stubbs, John M ^b   Siepmann, J Ilja ^c   Sandler, Stanley I ^a  

^a UNIVERSITY OF DELAWARE   (United States)

^b GRINNELL COLLEGE   (United States)

^c UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1-HEXANOL; CONDUCTOR-LIKE SCREEN MODELS (COSMO); GIBBS ENSEMBLE SIMULATION; MOLECULAR CONFORMATION;

COMPUTER SIMULATION; ETHANOL; MOLECULAR DYNAMICS; OPTIMIZATION; PHASE EQUILIBRIA; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; VAPOR PRESSURE;

CONFORMATIONS;

EID: 30544449830     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp053859h     Document Type: Article

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