Conformation energy around the N(sp3)O s
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Jean M. J. Tronchet; Istvan Komaromi
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Article
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1994
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John Wiley and Sons
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English
⚖ 1002 KB
A detailed conformational analysis was performed on simple substituted hydroxylamines using either ab initio (from HF/6-31G\* to RQCISD/6-311G\* \*) or popular semiempirical (MNDO, AM1, PM3) methods to ascertain the allowed conformations and to establish the influence of the level of theory on the r