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Use of Quantum Methods with Transition State Theory: Application to H-Atom Metathesis Reactions †

✍ Scribed by Senosiain, Juan P.; Musgrave, Charles B.; Golden, David M.


Book ID
126446977
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
101 KB
Volume
105
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES


The use of transition-state theory to ex
✍ N. Cohen 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 877 KB

The thermochemical kinetics formulation of conventional transition state theory has been applied to metathesis reactions of H atoms with a series of alkanes in order to provide a sound framework for the intercomparison of experimental data, and also to extrapolate rate coefficients to temperature re

The use of transition-state theory to ex
✍ N. Cohen 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 95 KB 👁 1 views

An error was discovered in the method used for calculating the moments of inertia for the internal rotations in the activated complex. In order to retain good agreement between theory and experiment, it was necessary to change some other molecular parameters of the activated complex. The following c