The calculations of small molecular conf
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I.A. Topol; S.K. Burt
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Article
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1993
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Elsevier Science
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English
โ 490 KB
The differences in the conformational energies for the gauche (G) and trans (T) conformers of 1,2-difluoroethane and for myo-and scyllo-conformer of inositol have been calculated by local density functional method (LDF approximation) with ge ometry optimization using different sets of calculation pa