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Theoretical conformational analysis of a simple sulphilimine model

✍ Scribed by Paul Mezey; Arpad Kucsman; Giannoula Theodorakopoulos; Imre G. Csizmadia

Publisher
Springer
Year
1975
Tongue
English
Weight
212 KB
Volume
38
Category
Article
ISSN
1432-2234

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A conformational analysis of two model compounds of vitamin D was carried out by means of theoretical computations, Ab initio calculations Ž . were carried out using the standard 6-31G\* basis set at the Hartree᎐Fock HF Ž . level of theory. In addition, the Møller᎐Plesset MP2 correlation treatment w