Journal of Theoretical and Computational Chemistry最新文献

筛选
英文 中文
Chapter 8 – Combustion Mechanisms and Simplified-Kinetics Modeling of Homogeneous Energetic Solids 第八章-均质含能固体的燃烧机理和简化动力学模型
Journal of Theoretical and Computational Chemistry Pub Date : 2003-12-31 DOI: 10.1016/S1380-7323(03)80029-8
M. Brewster
{"title":"Chapter 8 – Combustion Mechanisms and Simplified-Kinetics Modeling of Homogeneous Energetic Solids","authors":"M. Brewster","doi":"10.1016/S1380-7323(03)80029-8","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80029-8","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88661314","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Chapter 5 Quantum-chemical dynamics with the slater-roothaan method 第五章用slater- roothan方法研究量子化学动力学
Journal of Theoretical and Computational Chemistry Pub Date : 2003-12-31 DOI: 10.1016/S1380-7323(03)80007-9
B. Dunlap
{"title":"Chapter 5 Quantum-chemical dynamics with the slater-roothaan method","authors":"B. Dunlap","doi":"10.1016/S1380-7323(03)80007-9","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80007-9","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83526651","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chapter 12 – Interactions of model organic species and explosives with clay minerals 第十二章-黏土矿物与模型有机物质和炸药的相互作用
Journal of Theoretical and Computational Chemistry Pub Date : 2003-12-31 DOI: 10.1016/S1380-7323(03)80014-6
A. Michalkova, L. Gorb, J. Leszczynski
{"title":"Chapter 12 – Interactions of model organic species and explosives with clay minerals","authors":"A. Michalkova, L. Gorb, J. Leszczynski","doi":"10.1016/S1380-7323(03)80014-6","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80014-6","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85050328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Chapter 10 – Use of Kinetic Models for Solid State Reactions in Combustion Simulations 第十章-燃烧模拟中固体反应动力学模型的应用
Journal of Theoretical and Computational Chemistry Pub Date : 2003-12-31 DOI: 10.1016/S1380-7323(03)80031-6
J. Wang, C. Wight
{"title":"Chapter 10 – Use of Kinetic Models for Solid State Reactions in Combustion Simulations","authors":"J. Wang, C. Wight","doi":"10.1016/S1380-7323(03)80031-6","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80031-6","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87443912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chapter 11 – Towards reliable prediction of kinetics and mechanisms for elementary processes: Key combustion initiation reactions of ammonium perchlorate 第十一章-对基本过程动力学和机制的可靠预测:高氯酸铵的关键燃烧引发反应
Journal of Theoretical and Computational Chemistry Pub Date : 2003-12-31 DOI: 10.1016/S1380-7323(03)80032-8
R. Zhu, M. Lin
{"title":"Chapter 11 – Towards reliable prediction of kinetics and mechanisms for elementary processes: Key combustion initiation reactions of ammonium perchlorate","authors":"R. Zhu, M. Lin","doi":"10.1016/S1380-7323(03)80032-8","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80032-8","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89002826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 7
Chapter 3 – Nitro ⇄ aci-nitro Tautomerism in High-Energetic Nitro Compounds. 第三章—高能硝基化合物中的硝基嬗变现象。
Journal of Theoretical and Computational Chemistry Pub Date : 2003-12-31 DOI: 10.1016/S1380-7323(03)80005-5
P. Bharatam, K. Lammertsma
{"title":"Chapter 3 – Nitro ⇄ aci-nitro Tautomerism in High-Energetic Nitro Compounds.","authors":"P. Bharatam, K. Lammertsma","doi":"10.1016/S1380-7323(03)80005-5","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80005-5","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85731057","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
Chapter 14 – Polynitrogens as promising high-energy density materials: computational design 第14章-作为有前途的高能量密度材料的多氮:计算设计
Journal of Theoretical and Computational Chemistry Pub Date : 2003-12-31 DOI: 10.1016/S1380-7323(03)80016-X
O. Kwon, M. Mckee
{"title":"Chapter 14 – Polynitrogens as promising high-energy density materials: computational design","authors":"O. Kwon, M. Mckee","doi":"10.1016/S1380-7323(03)80016-X","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80016-X","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81413831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
Chapter 4 – Initiation and decomposition mechanisms of energetic materials 第四章:含能物质的起始和分解机理
Journal of Theoretical and Computational Chemistry Pub Date : 2003-12-31 DOI: 10.1016/S1380-7323(03)80025-0
M. Manaa
{"title":"Chapter 4 – Initiation and decomposition mechanisms of energetic materials","authors":"M. Manaa","doi":"10.1016/S1380-7323(03)80025-0","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80025-0","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84995369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Chapter 1 – A survey of the thermal stability of energetic materials 第1章:含能材料热稳定性综述
Journal of Theoretical and Computational Chemistry Pub Date : 2003-12-31 DOI: 10.1016/S1380-7323(03)80003-1
J. Oxley
{"title":"Chapter 1 – A survey of the thermal stability of energetic materials","authors":"J. Oxley","doi":"10.1016/S1380-7323(03)80003-1","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80003-1","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88280089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 18
Chapter 11 – Optical absorption in PETN and RDX 第十一章- PETN和RDX的光吸收
Journal of Theoretical and Computational Chemistry Pub Date : 2003-01-01 DOI: 10.1016/S1380-7323(03)80013-4
W. Perger
{"title":"Chapter 11 – Optical absorption in PETN and RDX","authors":"W. Perger","doi":"10.1016/S1380-7323(03)80013-4","DOIUrl":"https://doi.org/10.1016/S1380-7323(03)80013-4","url":null,"abstract":"","PeriodicalId":17388,"journal":{"name":"Journal of Theoretical and Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2003-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72677659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
0
×
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
确定
请完成安全验证×
相关产品
×
本文献相关产品
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