Prediction of the free energy of hydration of a challenging set of pesticide-like compounds

Journal of Physical Chemistry B

Volumn 113, Issue 14, 2009, Pages 4508-4510

  Klamt, Andreas ^a,b   Eckert, Frank ^a,b   Diedenhofen, Michael ^a,b  

^a COSMOlogic GmbH and CoKG ^*  (Germany)

^b UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; PESTICIDES; QUANTUM THEORY; RAPID SOLIDIFICATION; SOLVATION; STATISTICAL MECHANICS; THERMODYNAMICS;

COSMO-RS; DIELECTRIC CONTINUUMS; DIRECT PREDICTIONS; EXPERIMENTAL DATUM; FREE ENERGY OF HYDRATIONS; POLAR COMPOUNDS; QUANTUM CHEMICALS; RMS DEVIATIONS; STATISTICAL THERMODYNAMICS; VALIDATION TESTS;

CHEMICAL COMPOUNDS;

EID: 65249087319     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp805853y     Document Type: Article

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