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Relative energies and conformational preferences of the low-lying triplet states of formamide

✍ Scribed by N.Colin Baird; Harichand B. Kathpal

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 219 KB
Volume: 43
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)85310-9

No coin nor oath required. For personal study only.

✦ Synopsis

Ab initio cakulatiuns using the restricted Roothaan open-shell method indicate that the energy separation between the rawest two triplet states of formamide, and their conforma~on~ preferences, depend significantly upon the @~metry of the molecule.

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