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Quantum chemical calculations of the thermal isomerization of 2-methyl-4,5-dihydrofuran

✍ Scribed by Oriana Brea; Marcos Loroño; Tania Cordova; Gabriel Chuchani

Book ID
116380193
Publisher
Elsevier
Year
2012
Tongue
English
Weight
587 KB
Volume
993
Category
Article
ISSN
2210-271X

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## Abstract Density Function Theory calculations were carried out to evaluate the potential energy surfaces of H~2~ elimination from 2,5‐dihydrofuran, 2,3‐dihydrofuran, and 2‐methyl‐2,5‐dihydrofuran. The structure and energetics of the reactants, products, and transition states on the surfaces for