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Isomerization of 2,3-Dihydrofuran and 5-Methyl-2,3-dihydrofuran: Quantum Chemical and Kinetics Calculations

✍ Scribed by Dubnikova, Faina; Lifshitz, Assa

Book ID
111915296
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
219 KB
Volume
106
Category
Article
ISSN
1089-5639

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Molecular hydrogen elimination from 2,5-
Molecular hydrogen elimination from 2,5-dihydrofuran, 2,3-dihydrofuran, and 2-methyl-2,5-dihydrofuran: Quantum chemical and kinetics calculations
✍ Faina Dubnikova; Assa Lifshitz πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 226 KB

## 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