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Theoretical Studies of the Electrostatic Effect on Carbocations Adsorbed over Zeolitic Sites 沸石上吸附碳阳离子的静电效应的理论研究
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008224428489
C. Mota, P. Esteves
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引用次数: 1
Modeling Lanthanide Complexes: Towards the Theoretical Design of Light Conversion Molecular Devices 镧系配合物的建模:迈向光转换分子器件的理论设计
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008227001656
A. M. V. de Andrade, Nivan B. da Costa, R. Longo, O. Malta, A. Simas, G. F. de Sá
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引用次数: 25
Spatial Structure of Dihydropyridines and Similarity of Dihydropyridines with some Amino Acids 二氢吡啶的空间结构及与某些氨基酸的相似性
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008272311650
I. Liepina, M. Blanco, G. Duburs, A. Liwo
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引用次数: 6
The Water Dimer: Post-Hartree-Fock and Density Functional Calculations on the Potential Energy Surface 水二聚体:势能面上的hartree - fock和密度泛函计算
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008243505290
O. Ventura, M. Kieninger, S. Suhai, G. Diercksen
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引用次数: 1
Monte Carlo Study of Structural and Thermodynamic Properties of Liquid Chloroform Using a Five Site Model 用五位模型蒙特卡罗研究液态氯仿的结构和热力学性质
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008232630306
V. E. Barlette, Fábio Luiz Laurenti Garbujo, L. C. Freitas
{"title":"Monte Carlo Study of Structural and Thermodynamic Properties of Liquid Chloroform Using a Five Site Model","authors":"V. E. Barlette, Fábio Luiz Laurenti Garbujo, L. C. Freitas","doi":"10.1023/A:1008232630306","DOIUrl":"https://doi.org/10.1023/A:1008232630306","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"44 1","pages":"439-455"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79946455","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: 8
Studies of Chemical Structure, Spectroscopy and Electron Scattering Using Generalized Multistructural Wavefunctions 利用广义多结构波函数研究化学结构、光谱学和电子散射
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_6
M. Nascimento
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引用次数: 2
Correlation Effects in the Double Proton Transfer of the Formic Acid Dimer 甲酸二聚体双质子转移的相关效应
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1023/A:1008278314077
H. Chojnacki
{"title":"Correlation Effects in the Double Proton Transfer of the Formic Acid Dimer","authors":"H. Chojnacki","doi":"10.1023/A:1008278314077","DOIUrl":"https://doi.org/10.1023/A:1008278314077","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"10 1","pages":"161-167"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85790713","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
Optical Spectra of High-Temperature Superconductors 高温超导体的光谱
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_15
M. Georgiev, L. Mihailov
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引用次数: 1
The Relativistic Quantum Defect Orbital Method and some of its Applications 相对论量子缺陷轨道法及其一些应用
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_4
Immaculada Martin
{"title":"The Relativistic Quantum Defect Orbital Method and some of its Applications","authors":"Immaculada Martin","doi":"10.1007/978-94-011-4894-8_4","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_4","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"27 1","pages":"51-65"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75738977","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
Separability in Quantum Mechanics
Molecular Engineering Pub Date : 1997-03-01 DOI: 10.1007/978-94-011-4894-8_2
R. Mcweeny
{"title":"Separability in Quantum Mechanics","authors":"R. Mcweeny","doi":"10.1007/978-94-011-4894-8_2","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_2","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"36 1","pages":"7-26"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76343383","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
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