Use of GAMESS/COSMO program in support of COSMO-SAC model applications in phase equilibrium prediction calculations

Fluid Phase Equilibria

Volumn 276, Issue 1, 2009, Pages 37-45

  Wang, Shu ^a   Lin, Shiang Tai ^b   Watanasiri, Suphat ^a   Chen, Chau Chyun ^a  

^a ASPEN TECHNOLOGY INC   (United States)

^b NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

COSMO; COSMO SAC; GAMESS; Group contribution methods; Phase equilibrium

Indexed keywords

BINARY MIXTURES; FORECASTING; QUANTUM THEORY; SOLUBILITY; SOLVENTS;

4 COMPLEXES; COSMO; COSMO-SAC; DRUG COMPOUNDS; FINE STRUCTURES; GAMESS; GROUP-CONTRIBUTION METHODS; MOLECULAR SURFACES; SCREENING MODELS; SOLUBILITY PREDICTIONS; THERMODYNAMIC MODELS;

PHASE EQUILIBRIA;

EID: 57749096172     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2008.09.021     Document Type: Article

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