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A molecular mechanics calculation of conformational energies and barrier heights in haloalkanes

โœ Scribed by Raymond J. Abraham; Reidar Stolevik


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
501 KB
Volume
77
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


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## Abstract The calculated result obtained with MM2(87) for the rotation of the isopropyl group in 3โ€methylโ€1โ€butene is not in agreement with experimental data. In order to reparametrize the C~__sp__~2โ€C~__sp__~3โ€C~__sp__~โ€C~__sp__~3 torsional angle, 3โ€methylโ€1โ€butene and 1โ€butene have been studied