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1,2-Rearrangement of protonated-heterosubstituents in ethyl radicals: a molecular orbital study

โœ Scribed by Tova Hoz; Milon Sprecher; Harold Basch


Book ID
119116766
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
939 KB
Volume
150
Category
Article
ISSN
0166-1280

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The structures of isomers of protonated NzO in the ground state are determined by the ab initio MP2 gradient method with a 6-3 IG\* basis set. Calculations at the MP4SDQ16-3 I lG\*\* level predict that the 0-protonated NZO is the most stable isomer and is lower in energy by 7.1 kcahmol than the N-pr

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