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Reaction Cross Sections and Rate Constants for the Cl + H 2 Reaction from Quasiclassical Trajectory Calculation on Two New ab Initio Potential Energy Surfaces

✍ Scribed by Shen, Changsheng; Wu, Tao; Ju, Guanzhi; Bian, Wensheng


Book ID
127007914
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
73 KB
Volume
106
Category
Article
ISSN
1089-5639

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The F + HD reaction: cross sections and
✍ F.J. Aoiz; L. BaΓ±ares; V.J. Herrero; V.SΓ‘ez RΓ‘banos; K. Stark; I. Tanarro; H.-J. πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 597 KB

Reaction cross sections and rate constants for the F + HD reaction have been calculated on the recently released Stark-Werner (SW) ab initio potential energy surface (PES) using the quasiclassical trajectory (QCT) method. The results are compared to other theoretical calculations on different PESs a