Quasi-classical trajectory approach to the O（1D）＋HBr ）OH＋Br reaction stereo-dynamics on X1A＇ potential energy surface

The vector properties of reaction O（1D）＋HBr→OH＋Br on the potential energy surface （PES） of X1A＇ ground singlet state are studied by using the quasi-classical trajectory （QCT） theory. The polarization-dependent differential cross sections （PDDCSs）, the average rotational alignment factor （P 2 （j＇- k）...

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Veröffentlicht in:	中国物理：英文版 2011, Vol.20 (12), p.210-216
1. Verfasser:	李红郑斌尹吉庆孟庆田
Format:	Artikel
Sprache:	eng
Schlagworte:	准经典轨线势能面反应微分截面氢溴酸立体经典轨迹羟基
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creator	李红郑斌尹吉庆孟庆田
description	The vector properties of reaction O（1D）＋HBr→OH＋Br on the potential energy surface （PES） of X1A＇ ground singlet state are studied by using the quasi-classical trajectory （QCT） theory. The polarization-dependent differential cross sections （PDDCSs）, the average rotational alignment factor （P 2 （j＇- k）〉, as well as the distributions reflecting vector correlations are also computed. The analysis of the results shows that the alignment and the orientation distribution of the rotation angular momentum vector of product molecule OH is influenced by both the effect of heavy-light heavy （HLH） type mass combination and the deep well of PES.
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The polarization-dependent differential cross sections （PDDCSs）, the average rotational alignment factor （P 2 （j＇- k）〉, as well as the distributions reflecting vector correlations are also computed. The analysis of the results shows that the alignment and the orientation distribution of the rotation angular momentum vector of product molecule OH is influenced by both the effect of heavy-light heavy （HLH） type mass combination and the deep well of PES.</description><identifier>ISSN: 1674-1056</identifier><identifier>EISSN: 2058-3834</identifier><language>eng</language><subject>准经典轨线 ; 势能面 ; 反应 ; 微分截面 ; 氢溴酸 ; 立体 ; 经典轨迹 ; 羟基</subject><ispartof>中国物理：英文版, 2011, Vol.20 (12), p.210-216</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Uhttp://image.cqvip.com/vip1000/qk/85823A/85823A.jpg</thumbnail><link.rule.ids>314,776,780,4010</link.rule.ids></links><search><creatorcontrib>李红郑斌尹吉庆孟庆田</creatorcontrib><title>Quasi-classical trajectory approach to the O（1D）＋HBr ）OH＋Br reaction stereo-dynamics on X1A＇ potential energy surface</title><title>中国物理：英文版</title><addtitle>Chinese Physics</addtitle><description>The vector properties of reaction O（1D）＋HBr→OH＋Br on the potential energy surface （PES） of X1A＇ ground singlet state are studied by using the quasi-classical trajectory （QCT） theory. 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subjects	准经典轨线势能面反应微分截面氢溴酸立体经典轨迹羟基
title	Quasi-classical trajectory approach to the O（1D）＋HBr ）OH＋Br reaction stereo-dynamics on X1A＇ potential energy surface
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