Multipole corrections to account for structure and proximity effects in group contribution methods: Octanol-water partition coefficients

Journal of Physical Chemistry A

Volumn 104, Issue 30, 2000, Pages 7099-7105

  Lin, Shiang Tai ^a   Sandler, Stanley I ^a  

^a University of Delaware   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; DRUG PRODUCTS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; WATER;

MULTIPLE CORRECTIONS; PARTITION COEFFICIENTS; ROOT-MEAN-SQUARE (RMS) DEVIATION;

MOLECULAR DYNAMICS;

EID: 0034246202     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000091m     Document Type: Article

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