Derivation of Class II Force Fields. 2. Derivation and Characterization of a Class II Force Field, CFF93, for the Alkyl Functional Group and Alkane Molecules

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Bibliographic Details
Published in:Journal of the American Chemical Society 1994-03, Vol.116 (6), p.2515-2525
Main Authors: Hwang, M. J, Stockfisch, T. P, Hagler, A. T
Format: Article
Language:English
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ISSN:0002-7863
1520-5126
DOI:10.1021/ja00085a036