引用本文:
杜凤沛, 陈兰, 蔡遵生, 潘荫明, 赵学庄. H+ClF体系的准经典轨线研究[J]. 物理化学学报,
1999, 15(07): 593-598.
doi:
10.3866/PKU.WHXB19990704
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
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
H+ClF体系的准经典轨线研究
English
A Quasiclassical Trajectory Study on the Rection of H+ClF
Abstract:
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,
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