Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions

Bi-Yu Tang; Ben-Hui Yang; Ke-Li Han; Rui-Qin Zhang; John Z. H. Zhang

doi:10.1063/1.1323504

Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions

Bi-Yu Tang, Ben-Hui Yang, Ke-Li Han, Rui-Qin Zhang, John Z. H. Zhang

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

51 Citations (Scopus)

Abstract

Three-dimensional time-dependent quantum wave-pack calculations were carried out for the F+HCl and F+DCl reactions. The energy-dependence of reaction probability exhibited oscillating structure in the F+HCl reaction. The effects of initial state excitation on the total reaction probabilities as a function of collision energy were investigated. The rotational excitation led to an increase in the reaction probability at low collision energy. Thermal rate constants for the reactions are calculated.

Original language	English
Pages (from-to)	10105-10113
Journal	Journal of Chemical Physics
Volume	113
Issue number	22
DOIs	https://doi.org/10.1063/1.1323504
Publication status	Published - 8 Dec 2000

Access Output

10.1063/1.1323504

Other Access Options

Check CityUHK Library

Permanent Link

Right click to copy link

Cite this

@article{12a831a10a2948188cb5b079b9e62b7b,

title = "Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions",

abstract = "Three-dimensional time-dependent quantum wave-pack calculations were carried out for the F+HCl and F+DCl reactions. The energy-dependence of reaction probability exhibited oscillating structure in the F+HCl reaction. The effects of initial state excitation on the total reaction probabilities as a function of collision energy were investigated. The rotational excitation led to an increase in the reaction probability at low collision energy. Thermal rate constants for the reactions are calculated.",

author = "Bi-Yu Tang and Ben-Hui Yang and Ke-Li Han and Rui-Qin Zhang and Zhang, {John Z. H.}",

year = "2000",

month = dec,

day = "8",

doi = "10.1063/1.1323504",

language = "English",

volume = "113",

pages = "10105--10113",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "22",

}

TY - JOUR

T1 - Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions

AU - Tang, Bi-Yu

AU - Yang, Ben-Hui

AU - Han, Ke-Li

AU - Zhang, Rui-Qin

AU - Zhang, John Z. H.

PY - 2000/12/8

Y1 - 2000/12/8

N2 - Three-dimensional time-dependent quantum wave-pack calculations were carried out for the F+HCl and F+DCl reactions. The energy-dependence of reaction probability exhibited oscillating structure in the F+HCl reaction. The effects of initial state excitation on the total reaction probabilities as a function of collision energy were investigated. The rotational excitation led to an increase in the reaction probability at low collision energy. Thermal rate constants for the reactions are calculated.

AB - Three-dimensional time-dependent quantum wave-pack calculations were carried out for the F+HCl and F+DCl reactions. The energy-dependence of reaction probability exhibited oscillating structure in the F+HCl reaction. The effects of initial state excitation on the total reaction probabilities as a function of collision energy were investigated. The rotational excitation led to an increase in the reaction probability at low collision energy. Thermal rate constants for the reactions are calculated.

UR - http://www.scopus.com/inward/record.url?scp=0034516026&partnerID=8YFLogxK

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-0034516026&origin=recordpage

U2 - 10.1063/1.1323504

DO - 10.1063/1.1323504

M3 - RGC 21 - Publication in refereed journal

SN - 0021-9606

VL - 113

SP - 10105

EP - 10113

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 22

ER -

Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions

Abstract

Access Output

Other Access Options

Permanent Link

Other Files and Links

Fingerprint

Cite this