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Citation: Du Feng-Pei, Chen Lan, Cai Zun-Sheng, Pan Yin-Ming, Zhao Xue-Zhuang. A Quasiclassical Trajectory Study on the Rection of H+ClF[J]. Acta Physico-Chimica Sinica, ;1999, 15(07): 593-598. doi: 10.3866/PKU.WHXB19990704 shu

A Quasiclassical Trajectory Study on the Rection of H+ClF

1.
Department of Chemistry,Nankai University,Tianjin 300071

Received Date: 7 September 1998
Available Online: 15 July 1999

A quasiclassical trajectory study was carried out on the reaction system of H + CIF, the employed LEPS potential energy surface was fitted by genetic al rithm from the ab initio data. The effect of the reagent's relative translational energy and rotational exciting state, and the distribution of vibrational and rotational energy of the products were obtained. we also t two kinds of trajectory for the path of forming HF, which are the direct trajectory and the migrating trajectory,
- Qusiclassical trajectory calculation,
- Reacton kinetis,
- Direct mechanism,
- Migration mechanism,
- H+ClF Reaction
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