{"title":"Supramolecular Structure Formed from H-Bonding of Ferrocenyl Carbonyl Propanoic Acid and 4,4'-Bipyridine","authors":"R. Tang, J. Gu, Z. Tai, Bin Ji, Zuhong Lu","doi":"10.1023/A:1008279517986","DOIUrl":"https://doi.org/10.1023/A:1008279517986","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"25 1","pages":"25-29"},"PeriodicalIF":0.0,"publicationDate":"1998-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86525110","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}
{"title":"Vectorial and Octupolar Components of the First-Order Hyperpolarizability in Push-Pull Benzopyranic Series","authors":"B. Illien, A. Botrel","doi":"10.1023/A:1008204416092","DOIUrl":"https://doi.org/10.1023/A:1008204416092","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"10 1","pages":"1-7"},"PeriodicalIF":0.0,"publicationDate":"1998-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82642519","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}
{"title":"Simulation of Solvation Dynamics in H-Bonding Solvents: Dynamics of Solute–Solvent H-Bonds in Methanol–Water Mixtures","authors":"M. Skaf, I. A. Borin, B. Ladanyi","doi":"10.1023/A:1008284601172","DOIUrl":"https://doi.org/10.1023/A:1008284601172","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"7 1","pages":"457-472"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85481916","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}
N. Reuter, M. Loos, G. Monard, A. Cartier, B. Maigret, J. Rivail
{"title":"A Quantum Chemical Approach to Reactions in Biomolecules","authors":"N. Reuter, M. Loos, G. Monard, A. Cartier, B. Maigret, J. Rivail","doi":"10.1023/A:1008295506199","DOIUrl":"https://doi.org/10.1023/A:1008295506199","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"17 9 1","pages":"349-365"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82937790","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}
João Otávio Millan de Albuquerque Lins, M. Nascimento
{"title":"Molecular Dynamics Studies of Light Hydrocarbons Diffusion in Zeolites","authors":"João Otávio Millan de Albuquerque Lins, M. Nascimento","doi":"10.1023/A:1008279021220","DOIUrl":"https://doi.org/10.1023/A:1008279021220","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"122 1","pages":"309-316"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79606602","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}
{"title":"Activated Complex Theory of Barite Scale Control Processes","authors":"M. Blanco, Yongchun Tang, P. Shuler, W. Goddard","doi":"10.1023/A:1008253202081","DOIUrl":"https://doi.org/10.1023/A:1008253202081","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"212 1","pages":"491-514"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75940762","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}
{"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}
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}
Isaac M. Jr. Xavier, A. de Pádua, F. Moraes, J. A. de Miranda‐Neto
{"title":"Hyperbolic Modeling of Starburst Dendrimers","authors":"Isaac M. Jr. Xavier, A. de Pádua, F. Moraes, J. A. de Miranda‐Neto","doi":"10.1023/A:1008264717585","DOIUrl":"https://doi.org/10.1023/A:1008264717585","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"25 1","pages":"283-291"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73686669","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}
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}
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