| ATOMIC AND MOLECULAR PHYSICS |
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The Rate Constant Calculations for the Reaction H(2S)+NH(X3Σ-) to N(4S)+H2 by using Quantum Mechanics Method |
| ZHAI Hong-Sheng, ZHOU Pan-Wang** |
| State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 |
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| Cite this article: |
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ZHAI Hong-Sheng, ZHOU Pan-Wang 2012 Chin. Phys. Lett. 29 063401 |
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Abstract The quantum reactive scattering dynamics calculations are carried out over the collision energy range of 0–1.0 eV on the double many-body expansion (DMBE) potential energy surface reported by Poveda and Varandas [Phys. Chem. Chem. Phys. 7 (2005) 2867]. The reaction probabilities, integral cross-section and rate constants for the title reaction are calculated. The calculated rate constants are in agreement with the available experimental results at high temperature but lower than the experimental results at low temperature.
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Received: 22 November 2011
Published: 31 May 2012
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| PACS: |
34.35.+a
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(Interactions of atoms and molecules with surfaces)
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34.50.Lf
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(Chemical reactions)
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34.20.-b
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(Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions)
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