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Quantum dynamics calculation of reaction probability for H + Cl2→ HCl + Cl

✍ Scribed by Shenglong Wang; Xinsheng Zhao

Publisher
SP Science China Press
Year
2001
Tongue
English
Weight
359 KB
Volume
44
Category
Article
ISSN
1674-7291

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The H + HCI potential surfaces for both reaction LhJnnel.S are calculated by a modlied dlatormcs-m-molecules method mcludmg three-center molecular Integrals Usmg the same adjustable parameters as for the FH2 system, we obtam barner heights of 5.2 kcal/mole (abstractlon) and J 4.2 kcal/moIe (exchange