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Fast and slow decompositions of ionized prop-1-en-1-ols. A unified view of [C3H6O]+· isomers with the CCCO frame

✍ Scribed by František Tureček; Vladimír Hanuš; Tino Gäumann


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
865 KB
Volume
69
Category
Article
ISSN
0168-1176

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A G1 ab initio MO study of the distonic
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Ab initio molecular orbital calculations at the Gl level have been used to examine the structure and relative stabilities of the H#ZOSi+ molecular ions. Our results show that the two most stable species correspond to a distonic and to a non-d&tonic ion, the former being 6.7 kcal/mol more stable than