发布求助
文献互助 智能选刊 最新文献

H(D)+LiH+→H2(HD)+Li+在其基电子态X1A1上的反应动力学及矢量相关性

IF 2.4 Q3 Computer Science
Journal of Theoretical & Computational Chemistry Pub Date : 2020-02-20 DOI:10.1142/s0219633620500029
Ya-min Li, Y. Lei
{"title":"H(D)+LiH+→H2(HD)+Li+在其基电子态X1A1上的反应动力学及矢量相关性","authors":"Ya-min Li, Y. Lei","doi":"10.1142/s0219633620500029","DOIUrl":null,"url":null,"abstract":"Dynamics of the H(D)+LiH+→H2(HD)+Li+ reaction has been investigated by means of quasi-classical trajectory (QCT) calculations on the ground state X1A1 potential energy surface. The H2 (HD) product ...","PeriodicalId":49976,"journal":{"name":"Journal of Theoretical & Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":2.4000,"publicationDate":"2020-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/s0219633620500029","citationCount":"1","resultStr":"{\"title\":\"H(D)+LiH+→H2(HD)+Li+ reaction dynamics on its ground electronic state X1A1 and vector correlations\",\"authors\":\"Ya-min Li, Y. Lei\",\"doi\":\"10.1142/s0219633620500029\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Dynamics of the H(D)+LiH+→H2(HD)+Li+ reaction has been investigated by means of quasi-classical trajectory (QCT) calculations on the ground state X1A1 potential energy surface. The H2 (HD) product ...\",\"PeriodicalId\":49976,\"journal\":{\"name\":\"Journal of Theoretical & Computational Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2020-02-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1142/s0219633620500029\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Theoretical & Computational Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1142/s0219633620500029\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Computer Science\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Theoretical & Computational Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1142/s0219633620500029","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Computer Science","Score":null,"Total":0}
引用次数: 1

摘要

H（D）+LiH的动力学+→在基态X1A1势能面上，用准经典轨道（QCT）方法研究了H2（HD）+Li+反应。H2（HD）产品。。。
本文章由计算机程序翻译，如有差异，请以英文原文为准。
分享
查看原文 本刊更多论文
H(D)+LiH+→H2(HD)+Li+ reaction dynamics on its ground electronic state X1A1 and vector correlations
Dynamics of the H(D)+LiH+→H2(HD)+Li+ reaction has been investigated by means of quasi-classical trajectory (QCT) calculations on the ground state X1A1 potential energy surface. The H2 (HD) product ...
求助全文
通过发布文献求助，成功后即可免费获取论文全文。 去求助
来源期刊
Journal of Theoretical & Computational Chemistry
Journal of Theoretical & Computational Chemistry 化学-化学综合
CiteScore
1.70
自引率
0.00%
发文量
0
审稿时长
3 months
期刊介绍： The Journal of Theoretical and Computational Chemistry (JTCC) is an international interdisciplinary journal aimed at providing comprehensive coverage on the latest developments and applications of research in the ever-expanding field of theoretical and computational chemistry. JTCC publishes regular articles and reviews on new methodology, software, web server and database developments. The applications of existing theoretical and computational methods which produce significant new insights into important problems are also welcomed. Papers reporting joint computational and experimental investigations are encouraged. The journal will not consider manuscripts reporting straightforward calculations of the properties of molecules with existing software packages without addressing a significant scientific problem. Areas covered by the journal include molecular dynamics, computer-aided molecular design, modeling effects of mutation on stability and dynamics of macromolecules, quantum mechanics, statistical mechanics and other related topics.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信