Collinear quantum dynamics study of D+CID system

Acta Chimica Sinica ›› 2001, Vol. 59 ›› Issue (8): 1272-1276. Previous Articles Next Articles

Original Articles

共线量子散射方法研究D+CID体系

吴韬;沈长圣;居冠之;边文生

南京大学配位化学国家重点实验室.南京(210008);南京大学化学系.南京 (210008);南京大学亚微观固态化学研究所;山东大学理论化学研究所.济南 (250100)

发布日期:2001-08-15

Collinear quantum dynamics study of D+CID system

Wu Tao;Shen Changsheng;Ju Guanzhi;Bian Wensheng

Nanjing Univ, Coordinat Chem State Key Lab.Nanjing(210008);Nanjing Univ, Dept Chem.Nanjing(210008);Shandong Univ, Inst Theoret Chem. Jinan(250100)

Published:2001-08-15

Abstract

The reaction probability and the T-V energy transfer probability of D+CID system on mBW2 potential energy surface (PES) were calculated using collinear quantum scattering theory. The calculated results show that there is oscillatory phenomenon. The life period of the collision -middle-state is fs-ps for D+CID system. When a reaction channel is opened, there are some longevous collision-middle-states near the threshold energy. This is very obvious for D+CID system.

Key words: OSCILLATION CHEMICAL REACTION, COLLISON, DELAY TIME, COLLINEAR THEORY

CLC Number:

O641

Cite this article

Wu Tao;Shen Changsheng;Ju Guanzhi;Bian Wensheng. Collinear quantum dynamics study of D+CID system[J]. Acta Chimica Sinica, 2001, 59(8): 1272-1276.

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共线量子散射方法研究D+CID体系

Collinear quantum dynamics study of D+CID system

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