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Calculated conformational energies comparison

I. Pettersson, T. Liljefors, Molecular mechanics calculated conformational energies of organic molecules a comparison of force fields, in Reviews in Computational Chemistry, Vbl. 9,... [Pg.356]

Ingrid Pettersson and Tommy Liljefors, Molecular Mechanics Calculated Conformational Energies of Organic Molecules A Comparison of Force Fields. [Pg.444]

Pettersson, 1. and Liljefors, T. 1996. Molecular Mechanics Calculated Conformational Energies of Organic Molecules A Comparison of Force Fields , in Reviews in Computational Chemistry, Vol. 9, Lipkowitz, K. B. and Boyd, D. B., Eds., VCH New York, 167. [Pg.67]

Pettersson I, Liljefors T. Molecular mechanics calculated conformational energies of organic molecules a comparison of force fields. In Lipkowitz KB, Boyd DB, eds. Reviews in Computational Chemistry. Vol. 9. New York VCH, 1996 167-189. Liljefors T, Gundertofte K, Norrby PO, Pettersson I. Molecular mechanics and comparsion of force fields. In Bultinck P, Winter HD, Langenaeker W, Tollenaere JP, eds. Computational Medicinal Chemistry for Drug Discovery. New York Marcel Dekker, 2004 1-28. [Pg.413]

Conformations of silicon-containing rings. II a conformational study on silacyclo-hexane. Comparison of ab initio (HF, MP2), DFT, and molecular mechanics calculations. Conformational energy surface of silacyclohexane ... [Pg.362]

Variations of these releases are implemented in almost every commercial or academic software package, which cannot be fisted in this context. A comprehensive comparison of several force fields focusing the calculation of conformational energies of organic molecules has been published by Pettersson and liljefors [1]. [Pg.350]

Gundertofte, K., Liljefors, T., Norrby, P.-O., Pettersson, I. A comparison of conformational energies calculated by several molecular mechanics methods. [Pg.203]


See other pages where Calculated conformational energies comparison is mentioned: [Pg.26]    [Pg.59]    [Pg.221]    [Pg.399]    [Pg.6]    [Pg.177]    [Pg.135]    [Pg.23]    [Pg.26]    [Pg.157]    [Pg.215]    [Pg.170]    [Pg.90]    [Pg.4]   
See also in sourсe #XX -- [ Pg.6 ]




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