Anharmonic vibrational self-consistent field calculations as an approach to improving force fields for monosaccharides

SK Gregurick, JHY Liu, DA Brant…

文献索引：Gibbs,H.W. et al. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1978 , p. 1145 - 1157

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被引用次数: 34

摘要

... Journal of ... Chem. B , 1999, 103 (17), pp 3476–3488. DOI: 10.1021/jp9826221. Publication Date (Web): April 9, 1999. Copyright © 1999 American Chemical Society. ... 38-40 Furthermore, Roitberg et al. illustrated that such a calculation is feasible for systems as large as proteins. ...