Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: Aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases

Journal of Computational Chemistry

Volumn 22, Issue 10, 2001, Pages 1048-1057

  Cieplak, Piotr ^a   Caldwell, James ^b   Kollman, Peter ^b  

^a UNIVERSITY OF WARSAW   (Poland)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

cc pVTZ basis set; Lone pairs; Molecular mechanical models

Indexed keywords

EID: 0035974484     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1065     Document Type: Article

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