Time-dependent quantum wave packet study of the H+DCN→HD+CN reaction

Wan Yong Ma; Ke Li Han; John Z.H. Zhang

doi:10.1063/1.1501888

Time-dependent quantum wave packet study of the H+DCN→HD+CN reaction

Wan Yong Ma, Ke Li Han, John Z.H. Zhang

Chemistry

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

Abstract

Quantum dynamics studies for the H+DCN→HD+CN reaction were performed using the semirigid vibrating rotor (SVRT) model and time-dependent wave packet propagation technique. Initial state-selected total reaction probabilities as well as integral cross sections and thermal rate constants were computed. Overall, significant results were obtained.

Original language	English (US)
Pages (from-to)	5642-5646
Number of pages	5
Journal	Journal of Chemical Physics
Volume	117
Issue number	12
DOIs	https://doi.org/10.1063/1.1501888
State	Published - Sep 22 2002

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1501888

Cite this

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title = "Time-dependent quantum wave packet study of the H+DCN→HD+CN reaction",

abstract = "Quantum dynamics studies for the H+DCN→HD+CN reaction were performed using the semirigid vibrating rotor (SVRT) model and time-dependent wave packet propagation technique. Initial state-selected total reaction probabilities as well as integral cross sections and thermal rate constants were computed. Overall, significant results were obtained.",

author = "Ma, {Wan Yong} and Han, {Ke Li} and Zhang, {John Z.H.}",

year = "2002",

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AU - Han, Ke Li

AU - Zhang, John Z.H.

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Y1 - 2002/9/22

N2 - Quantum dynamics studies for the H+DCN→HD+CN reaction were performed using the semirigid vibrating rotor (SVRT) model and time-dependent wave packet propagation technique. Initial state-selected total reaction probabilities as well as integral cross sections and thermal rate constants were computed. Overall, significant results were obtained.

AB - Quantum dynamics studies for the H+DCN→HD+CN reaction were performed using the semirigid vibrating rotor (SVRT) model and time-dependent wave packet propagation technique. Initial state-selected total reaction probabilities as well as integral cross sections and thermal rate constants were computed. Overall, significant results were obtained.

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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Time-dependent quantum wave packet study of the H+DCN→HD+CN reaction

Abstract

ASJC Scopus subject areas

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