## Abstract In the present paper, kinetic isotope effects of the title reaction are studied with canonical variational transition state theory on the modified Wang Bowman (MWB) potential energy surface (PES) (__Chem Phys Lett__ 2005, 409, 249) and the ab initio calculations at the quadratic configu
β¦ LIBER β¦
An Improved Potential Energy Surface for the H 2 Cl System and Its Use for Calculations of Rate Coefficients and Kinetic Isotope Effects
β Scribed by Allison, Thomas C.; Lynch, Gillian C.; Truhlar, Donald G.; Gordon, Mark S.
- Book ID
- 117991422
- Publisher
- American Chemical Society
- Year
- 1996
- Tongue
- English
- Weight
- 451 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0022-3654
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