Molecular Mechanics Calculated Conformational Energies of Organic Molecules: A Comparison of Force Fields
1996; Wiley; Linguagem: Inglês
10.1002/9780470125861.ch4
ISSN1934-5372
AutoresIngrid Pettersson, Tommy Liljefors,
Tópico(s)Various Chemistry Research Topics
ResumoMolecular Mechanics Calculated Conformational Energies of Organic Molecules: A Comparison of Force Fields Ingrid Pettersson, Ingrid Pettersson Department of Medicinal Chemistry, Astra Draco AB, S-221 00 Lund, SwedenSearch for more papers by this authorTommy Liljefors, Tommy Liljefors Department of Medicinal Chemistry, Royal Danish School of Pharmacy, DK-2100 Copenhagen, DenmarkSearch for more papers by this author Ingrid Pettersson, Ingrid Pettersson Department of Medicinal Chemistry, Astra Draco AB, S-221 00 Lund, SwedenSearch for more papers by this authorTommy Liljefors, Tommy Liljefors Department of Medicinal Chemistry, Royal Danish School of Pharmacy, DK-2100 Copenhagen, DenmarkSearch for more papers by this author Book Editor(s):Kenny B. Lipkowitz, Kenny B. LipkowitzSearch for more papers by this authorDonald B. Boyd, Donald B. BoydSearch for more papers by this author First published: 01 January 1996 https://doi.org/10.1002/9780470125861.ch4Citations: 29Book Series:Reviews in Computational Chemistry AboutPDFPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShareShare a linkShare onEmailFacebookTwitterLinkedInRedditWechat Summary This chapter contains sections titled: Introduction The Principles of Molecular Mechanics Forms of Potential Energy Functions Comparisons of Calculated Conformational Energies Reproducibility of Comformational Energies Summary and Conclusions References U. Burkert and N. L. Allinger, Molecular Mechanics, ACS Monograph 177, American Chemical Society, Washington, DC, 1982. Google Scholar J. P. Bowen and N. L. Allinger, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 81–97. Molecular Mechanics: The Art and Science of Parameterization. 10.1002/9780470125793.ch3 Google Scholar N. L. 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