Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5393248 | Computational and Theoretical Chemistry | 2015 | 11 Pages |
Abstract
Calculated parameters from B2PLYP/6-31+G(d,p) of gas-phase elimination of selected cyclohexenes are in good agreement with experimental work in gas phase. Apparently, the mechanism of retro-Diels-Alder decomposition is a concerted molecular reaction.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Beatriz Ramirez, Tania Cordova, Fernando Ruette, Gabriel Chuchani,