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Theoretical study on rotational barriers of 1,3-dipoles and mechanisms of 1,3-dipolar reactions 1,3偶极旋转势垒的理论研究及1,3偶极反应机理
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/ejtc.51
Y. Yoshioka, D. Yamaki, S. Kiribayashi, T. Tsunesada, M. Nishino, K. Yamaguchi, K. Mizuno, I. Saito
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引用次数: 5
Prediction of favorable isomeric structures for the C100 to C120 giant fullerenes. An application of the phason line criteria C100 ~ C120巨型富勒烯有利异构体结构的预测。相线判据的应用
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/EJTC.26
M. Yoshida, H. Goto, Y. Hirose, X. Zhao, E. Ōsawa
{"title":"Prediction of favorable isomeric structures for the C100 to C120 giant fullerenes. An application of the phason line criteria","authors":"M. Yoshida, H. Goto, Y. Hirose, X. Zhao, E. Ōsawa","doi":"10.1002/EJTC.26","DOIUrl":"https://doi.org/10.1002/EJTC.26","url":null,"abstract":"","PeriodicalId":100404,"journal":{"name":"Electronic Journal of Theoretical Chemistry","volume":"37 1","pages":"163-171"},"PeriodicalIF":0.0,"publicationDate":"2001-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88344015","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
Features of IR bands of the CD3F…HCl complex in liquid and solid noble gas solutions CD3F…HCl络合物在液体和固体惰性气体溶液中的红外光谱特征
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/EJTC.16
K. S. Rutkowski, S. M. Melikova, A. Koll
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引用次数: 2
Parallel Computing in Computational Chemistry, ACS Symposium Series 592, ACS Washington DC, USA. Timothy G. Mattson (Ed.), 222 +viii pp., price $69.95 计算化学中的并行计算，第592届ACS研讨会，ACS华盛顿特区，美国。蒂莫西·g·马特森(Timothy G. Mattson)主编，222 + 8页，售价69.95美元
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/EJTC.18
A. Hinchliffe
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引用次数: 2
Ab initio study of the static dipole polarizability of neutral and charged naphthalene 中性和带电萘静态偶极极化率的从头算研究
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/ejtc.28
H. J. S. Machado, A. Hinchliffe
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引用次数: 5
ISIS/Draw version 1.2W for Windows ISIS/Draw版本1.2W为Windows
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/EJTC.12
A. Hinchliffe
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引用次数: 1
Conformational investigations of two diastereoisomers of the tripeptide Nα-Z-Nϵ-Bz-Lys-Ala-Sar-OBzl. 2. Infrared and Raman studies and normal modes analysis 三肽两种非对映异构体的构象研究Nα-Z-Nϵ-Bz-Lys-Ala-Sar-OBzl。2. 红外和拉曼研究和正常模式分析
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/ejtc.47
P. Chavatte, P. Lagant, J. P. Henichart, D. Lesieur, G. Vergoten
{"title":"Conformational investigations of two diastereoisomers of the tripeptide Nα-Z-Nϵ-Bz-Lys-Ala-Sar-OBzl. 2. Infrared and Raman studies and normal modes analysis","authors":"P. Chavatte, P. Lagant, J. P. Henichart, D. Lesieur, G. Vergoten","doi":"10.1002/ejtc.47","DOIUrl":"https://doi.org/10.1002/ejtc.47","url":null,"abstract":"","PeriodicalId":100404,"journal":{"name":"Electronic Journal of Theoretical Chemistry","volume":"2 1","pages":"206-214"},"PeriodicalIF":0.0,"publicationDate":"2001-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/ejtc.47","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91791484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modulating force constants in molecular springs 调制分子弹簧中的力常数
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/ejtc.56
M. Jalaie, S. Weatherhead, K. B. Lipkowitz, D Robertson
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引用次数: 14
Importance of steric effect on the hydrogen bond strength of malondialdehyde and acetylacetone 3-substituted derivatives. An ab initio study 立体效应对丙二醛和乙酰丙酮3取代衍生物氢键强度的影响。从头开始研究
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/ejtc.62
G. Buemi, F. Zuccarello
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引用次数: 36
HyperChem Release 4.5 for Windows HyperChem Release 4.5 for Windows
Electronic Journal of Theoretical Chemistry Pub Date : 2001-03-15 DOI: 10.1002/EJTC.9
A. Hinchliffe
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引用次数: 0
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