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AM1 Studies of E2 Reactions. 1. Mechanism and Leaving Group Effects.

机译:am1对E2反应的研究。 1.机制和离开集团效应。

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The mechanisms of bimolecular gas-phase elimination reactions have been studies, by use the AM1 models. Calculations are carried out for E2 reactions between a base (B) and a molecule H-CHR-CHS-X, where B is methoxide anion and X is a neutral leaving group, and where B is a neutral base and X is an onium ion. The results are compared with experiment and earlier calculations and interpretations. Keywords: Chemical reactions, Reprints. (jes)

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