Time-dependent quantum wave packet study of the C+CH reaction

Bi Yu Tang; Mao Du Chen; Ke Li Han; John Z.H. Zhang

doi:10.1063/1.1379585

Time-dependent quantum wave packet study of the C+CH reaction

Bi Yu Tang, Mao Du Chen, Ke Li Han, John Z.H. Zhang

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

The three-dimensional quantum wave packet method was used to study the reaction dynamics of C+CH reaction. The initial state-specific total reaction probabilities, integral cross section and rate constants were also calculated and found to be in good agreement with the experimental values. The probability curve implied that the reaction involved no resonance. A sharp decrease and a slight increase was observed in the calculated cross section with the increase of reagent kinetic energy. The C+CH reaction was shown to be strongly dependent on the attack angle distributions.

Original language	English (US)
Pages (from-to)	731-738
Number of pages	8
Journal	Journal of Chemical Physics
Volume	115
Issue number	2
DOIs	https://doi.org/10.1063/1.1379585
State	Published - Jul 8 2001

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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Time-dependent quantum wave packet study of the C+CH reaction

Abstract

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