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A theoretical study of the bond dissociations of small molecules using MNDO/CI

✍ Scribed by J.J. Dannenberg; J.C. Rayez; M.T. Rayez-Meaume; P. Halvick


Book ID
119116345
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
959 KB
Volume
123
Category
Article
ISSN
0166-1280

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MNDO CI study of the photoisomerization
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## Abstract __Cis‐trans__ photoisomerization of ethylene, some of its methyl and fluoro derivatives, methaniminium, and aminoborane was studied and twisted biradical geometries of these molecules in __S__~o~, __S__~1~, and __S__~2~ states were optimized using the half‐electron version of the MNDO m