Solvation parameters. 2. A simplified molecular topology to generate easily optimized values

Journal of Chemical Information and Modeling

Volumn 46, Issue 4, 2006, Pages 1723-1734

  Laffort, Paul ^a   Héricourt, Pierre ^a  

^a CENTRE DES SCIENCES DU GOÛT ET DE L ALIMENTATION   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER AIDED SOFTWARE ENGINEERING; OPTIMIZATION; PARAMETER ESTIMATION; SOLVENTS; TOPOLOGY;

BOND NATURE; OPTIMIZED VALUES; SIMPLIFIED MOLECULAR TOPOLOGY (SMT); SOLVATION PARAMETERS;

MOLECULAR STRUCTURE;

ARTICLE; CHEMICAL STRUCTURE; SOLUBILITY;

MOLECULAR STRUCTURE; SOLUBILITY;

EID: 33746900414     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0600152     Document Type: Article

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