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Nature of electronic transitions inN-phenyl-1,8-naphthalimide and some of its derivatives n -苯基-1,8-萘酰亚胺及其衍生物的电子跃迁性质
Molecular Engineering Pub Date : 1996-09-01 DOI: 10.1007/BF01886374
V. G. Mitina, V. Ivanov, O. Ponomarev, L. A. Sleta, V. M. Shershukov
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引用次数: 9
Acid-base equilibria of air-water monolayers ofN-hexadecyl-8-hydroxy-2-quinolinecarboxamide n -十六烷基-8-羟基-2-喹啉甲酰胺空气-水单层的酸碱平衡
Molecular Engineering Pub Date : 1996-09-01 DOI: 10.1007/BF01886377
J. Ouyang, Z. Tai, Wen-xia Tang
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引用次数: 4
A basic molecular model for the H2 histamine receptor. Part 1 H2组胺受体的基本分子模型。第1部分
Molecular Engineering Pub Date : 1996-09-01 DOI: 10.1007/BF01886378
C. Olea‐Azar, J. Parra-Mouchet, B. Cassels, G. Lunt
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引用次数: 1
Electronic structures of donor-acceptor polymers based on polythiophene, polyfuran and polypyrrole 基于聚噻吩、聚呋喃和聚吡咯的给受体聚合物的电子结构
Molecular Engineering Pub Date : 1996-09-01 DOI: 10.1007/BF01886373
A. Bakhshi, Y. Yamaguchi, H. Ago, T. Yamabe
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引用次数: 9
Modelling of H2 antagonists and tridimensional modelling of H2 receptor interactions. Part 2 H2拮抗剂的建模和H2受体相互作用的三维建模。第2部分
Molecular Engineering Pub Date : 1996-09-01 DOI: 10.1007/BF01886379
C. Olea‐Azar, J. Parra-Mouchet, G. Lunt
{"title":"Modelling of H2 antagonists and tridimensional modelling of H2 receptor interactions. Part 2","authors":"C. Olea‐Azar, J. Parra-Mouchet, G. Lunt","doi":"10.1007/BF01886379","DOIUrl":"https://doi.org/10.1007/BF01886379","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"2 1","pages":"307-317"},"PeriodicalIF":0.0,"publicationDate":"1996-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82153401","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: 2
Paramagnetic spin catalysis of a radical recombination reaction 自由基复合反应的顺磁自旋催化
Molecular Engineering Pub Date : 1996-09-01 DOI: 10.1007/BF01886375
B. Minaev
{"title":"Paramagnetic spin catalysis of a radical recombination reaction","authors":"B. Minaev","doi":"10.1007/BF01886375","DOIUrl":"https://doi.org/10.1007/BF01886375","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"5 1","pages":"261-279"},"PeriodicalIF":0.0,"publicationDate":"1996-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75398545","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
Quantum-mechanical and classical simulations of Mg-Ca carbonates Mg-Ca碳酸盐的量子力学和经典模拟
Molecular Engineering Pub Date : 1996-03-01 DOI: 10.1007/BF00161725
M. Catti, A. Pavese
{"title":"Quantum-mechanical and classical simulations of Mg-Ca carbonates","authors":"M. Catti, A. Pavese","doi":"10.1007/BF00161725","DOIUrl":"https://doi.org/10.1007/BF00161725","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"95 1","pages":"113-156"},"PeriodicalIF":0.0,"publicationDate":"1996-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83701511","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: 5
The structural properties of silica using classical and quantum interatomic forces 利用经典和量子原子间作用力研究二氧化硅的结构特性
Molecular Engineering Pub Date : 1996-03-01 DOI: 10.1007/BF00161721
J. Chelikowsky, N. Keskar, N. Binggeli
{"title":"The structural properties of silica using classical and quantum interatomic forces","authors":"J. Chelikowsky, N. Keskar, N. Binggeli","doi":"10.1007/BF00161721","DOIUrl":"https://doi.org/10.1007/BF00161721","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"1 1","pages":"1-37"},"PeriodicalIF":0.0,"publicationDate":"1996-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76103351","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
Advances in electron-gas potential models: Applications to some candidate lower mantle minerals 电子-气势模型的进展:在一些候选下地幔矿物中的应用
Molecular Engineering Pub Date : 1996-03-01 DOI: 10.1007/BF00161724
M. Bukowinski, A. Chizmeshya, G. Wolf, H. Zhang
{"title":"Advances in electron-gas potential models: Applications to some candidate lower mantle minerals","authors":"M. Bukowinski, A. Chizmeshya, G. Wolf, H. Zhang","doi":"10.1007/BF00161724","DOIUrl":"https://doi.org/10.1007/BF00161724","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"46 1","pages":"81-112"},"PeriodicalIF":0.0,"publicationDate":"1996-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91134101","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: 12
Molecular dynamics simulation of silica with a first-principles interatomic potential 基于第一性原理原子间势的二氧化硅分子动力学模拟
Molecular Engineering Pub Date : 1996-03-01 DOI: 10.1007/0-306-46933-2_8
S. Tsuneyuki
{"title":"Molecular dynamics simulation of silica with a first-principles interatomic potential","authors":"S. Tsuneyuki","doi":"10.1007/0-306-46933-2_8","DOIUrl":"https://doi.org/10.1007/0-306-46933-2_8","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"62 1","pages":"157-182"},"PeriodicalIF":0.0,"publicationDate":"1996-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87062731","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
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