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Supramolecular Structure Formed from H-Bonding of Ferrocenyl Carbonyl Propanoic Acid and 4,4'-Bipyridine 二茂铁羰基丙酸与4,4′-联吡啶氢键形成的超分子结构
Molecular Engineering Pub Date : 1998-03-01 DOI: 10.1023/A:1008279517986
R. Tang, J. Gu, Z. Tai, Bin Ji, Zuhong Lu
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引用次数: 0
Vectorial and Octupolar Components of the First-Order Hyperpolarizability in Push-Pull Benzopyranic Series 推拉型苯并吡喃系一阶超极化率的矢量分量和八极分量
Molecular Engineering Pub Date : 1998-03-01 DOI: 10.1023/A:1008204416092
B. Illien, A. Botrel
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引用次数: 3
Simulation of Solvation Dynamics in H-Bonding Solvents: Dynamics of Solute–Solvent H-Bonds in Methanol–Water Mixtures 氢键溶剂的溶剂化动力学模拟:甲醇-水混合物中溶质-溶剂氢键的动力学
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008284601172
M. Skaf, I. A. Borin, B. Ladanyi
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引用次数: 6
A Quantum Chemical Approach to Reactions in Biomolecules 生物分子反应的量子化学方法
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008295506199
N. Reuter, M. Loos, G. Monard, A. Cartier, B. Maigret, J. Rivail
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引用次数: 4
Molecular Dynamics Studies of Light Hydrocarbons Diffusion in Zeolites 轻烃在沸石中扩散的分子动力学研究
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008279021220
João Otávio Millan de Albuquerque Lins, M. Nascimento
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引用次数: 4
Activated Complex Theory of Barite Scale Control Processes 重晶石结垢控制过程活化复合体理论
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008253202081
M. Blanco, Yongchun Tang, P. Shuler, W. Goddard
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引用次数: 10
Molecular Atomistic Simulations of Clay Swelling in Water Dispersions 粘土在水分散体中膨胀的分子原子模拟
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008299625763
Márquez B. Maria Lupe
{"title":"Molecular Atomistic Simulations of Clay Swelling in Water Dispersions","authors":"Márquez B. Maria Lupe","doi":"10.1023/A:1008299625763","DOIUrl":"https://doi.org/10.1023/A:1008299625763","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"25 1","pages":"367-383"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82070009","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
Rff, Conceptual Development of a Full Periodic Table Force Field for Studying Reaction Potential Surfaces 研究反应势面的全周期表力场的概念发展
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008264127580
A. Rappé, M. A. Pietsch, D. Wiser, J. R. Hart, L. Bormann-Rochotte, W. M. Skiff
{"title":"Rff, Conceptual Development of a Full Periodic Table Force Field for Studying Reaction Potential Surfaces","authors":"A. Rappé, M. A. Pietsch, D. Wiser, J. R. Hart, L. Bormann-Rochotte, W. M. Skiff","doi":"10.1023/A:1008264127580","DOIUrl":"https://doi.org/10.1023/A:1008264127580","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"24 1","pages":"385-400"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82725516","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: 24
Hyperbolic Modeling of Starburst Dendrimers 星爆树状大分子的双曲模型
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008264717585
Isaac M. Jr. Xavier, A. de Pádua, F. Moraes, J. A. de Miranda‐Neto
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引用次数: 1
On the Modeling of Some Anti-inflammatory and Anti-thrombotic Drugs by AM1 一些抗炎抗血栓药物的AM1模型研究
Molecular Engineering Pub Date : 1997-06-01 DOI: 10.1023/A:1008201218011
C. R. Rodrigues, E. Barreiro, N. Romeiro, M. G. Albuquerque, C. D. de Sant’Anna, R. Bicca de Alencastro, J. D. Da Motta Neto
{"title":"On the Modeling of Some Anti-inflammatory and Anti-thrombotic Drugs by AM1","authors":"C. R. Rodrigues, E. Barreiro, N. Romeiro, M. G. Albuquerque, C. D. de Sant’Anna, R. Bicca de Alencastro, J. D. Da Motta Neto","doi":"10.1023/A:1008201218011","DOIUrl":"https://doi.org/10.1023/A:1008201218011","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"22 1","pages":"473-490"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83923712","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
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