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Determination of catalytic reaction mechanisms by isotopic frequency response

✍ Scribed by Hartfelder, Urs; Szlachetko, Jakub; Sá, Jacinto; van Bokhoven, Jeroen A.

Book ID
117994961
Publisher
Royal Society of Chemistry
Year
2012
Tongue
English
Weight
347 KB
Volume
137
Category
Article
ISSN
0003-2654

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Quantum mechanical determination of rate
Quantum mechanical determination of rates of reactions involving hydrogen isotopes
✍ M.S. Bowers; B.H. Choi; K.T. Tang 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 804 KB

A three-dimensional, quantum mechanical, coupled channel distorted wave approximation is used for calculating thermal rate constants for the isotopic D+ Hz, H + D2, Mu + Hz, and para to ortho H + Hz exchange reactions using the most accurate available potential surface. The calculated cross sections