Quasiclassical Trajectory Calculations of the Isotope Effect
A comparative quasiclassical trajectory study of the H + FCl (v = 0-3,j = 0-3) -> HCl + F reaction and its isotope variant has been carried out to investigate the isotope effect from a chemical stereodynamics view point. Employing the recent DHTSN PES of the ground 12A' electronic state [Des...
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| Published in | Bulletin of the Chemical Society of Japan Vol. 83; no. 8; p. 887 |
|---|---|
| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
Tokyo
Chemical Society of Japan
01.08.2010
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| Online Access | Get full text |
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