Fast Solvent Screening via Quantum Chemistry: COSMO-RS Approach

AIChE Journal

Volumn 48, Issue 2, 2002, Pages 369-385

  Eckert, Frank ^a   Klamt, Andreas ^a  

^a COSMOlogic GmbH and CoKG ^*  (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

PHASE EQUILIBRIA; STATISTICAL METHODS; THERMODYNAMICS; VAPOR PRESSURE;

MOLECULAR INTERACTIONS; QUANTUM CHEMISTRY;

SOLVENTS;

SOLVENT;

SOLVENT;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONDUCTOR; INFORMATION; INTERMETHOD COMPARISON; LIQUID; METHODOLOGY; MODEL; MOLECULAR INTERACTION; MOLECULE; PREDICTION; QUANTUM CHEMISTRY; SCREENING; SOLID; THERMODYNAMICS; VAPOR; VAPOR PRESSURE;

EID: 0036473751     PISSN: 00011541     EISSN: None     Source Type: Journal    
DOI: 10.1002/aic.690480220     Document Type: Article

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