{"title":"Ab Initio and DFT Study of the Structures, Vibrations and Energetics of the Urea Dimer and Trimer","authors":"R. Belosludov, Zhi-Qiang Li, Y. Kawazoe","doi":"10.1023/A:1008334322264","DOIUrl":"https://doi.org/10.1023/A:1008334322264","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"111 1","pages":"105-120"},"PeriodicalIF":0.0,"publicationDate":"1998-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85915611","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}
E. Hadjoudis, I. Mavridis, T. Dziembowska, Z. Rozwadowski, R. Anulewicz
{"title":"Title Spectroscopic and Structural Studies of the Thermochromism of Solid Di-Anil of 2-Hydroxy-5-Methyl-Isophthaldehyde","authors":"E. Hadjoudis, I. Mavridis, T. Dziembowska, Z. Rozwadowski, R. Anulewicz","doi":"10.1023/A:1008304808877","DOIUrl":"https://doi.org/10.1023/A:1008304808877","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"64 1","pages":"97-104"},"PeriodicalIF":0.0,"publicationDate":"1998-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79736654","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":"Counterion Effect on the Energy Gap in Doped trans-Poly-acetylene (t-PA)","authors":"R. Contreras, C. Aliaga, A. Goldschmid","doi":"10.1023/A:1008352709357","DOIUrl":"https://doi.org/10.1023/A:1008352709357","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"64 1","pages":"181-198"},"PeriodicalIF":0.0,"publicationDate":"1998-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86197279","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":"PIMM as an Efficient Tool to Estimate Gas Phase Formation Enthalpies of Energetic Molecules","authors":"D. Mathieu, P. Simonetti","doi":"10.1023/A:1008345430653","DOIUrl":"https://doi.org/10.1023/A:1008345430653","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"1 1","pages":"121-134"},"PeriodicalIF":0.0,"publicationDate":"1998-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91146536","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. Hernández-Laguna, Z. Cruz-rodríguez, R. González-Jonte, Y. Smeyers
{"title":"C(4)-h and c(5)-h Tautomers of Amthamine and Histamine Monocations","authors":"A. Hernández-Laguna, Z. Cruz-rodríguez, R. González-Jonte, Y. Smeyers","doi":"10.1023/A:1008370325286","DOIUrl":"https://doi.org/10.1023/A:1008370325286","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"19 1","pages":"155-180"},"PeriodicalIF":0.0,"publicationDate":"1998-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83409953","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":"Ab Initio Studies on N-Methylacetamide","authors":"V. Villani, G. Alagona, C. Ghio","doi":"10.1023/A:1008393413583","DOIUrl":"https://doi.org/10.1023/A:1008393413583","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"24 1","pages":"135-153"},"PeriodicalIF":0.0,"publicationDate":"1998-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86061651","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":"Early Stages of Oxygen Precipitation in Silicon, R. Jones (ed.)","authors":"G. Boureau","doi":"10.1023/A:1008237129184","DOIUrl":"https://doi.org/10.1023/A:1008237129184","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"46 1","pages":"91-92"},"PeriodicalIF":0.0,"publicationDate":"1998-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80867874","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":"Di-Region Theory, New Discovery on Mechanism of Carcinogenesis","authors":"Q. Dai","doi":"10.1023/A:1008285613723","DOIUrl":"https://doi.org/10.1023/A:1008285613723","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"41 1","pages":"61-89"},"PeriodicalIF":0.0,"publicationDate":"1998-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86281632","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}
K. Maekawa, S. Ishikawa, H. Ishida, S. Nakagawa, K. Ohkubo, T. Yamabe
{"title":"A Molecular Dynamics Study of the Stereoselective Interaction between an Enantiomeric Amino-Acid Ester and an l-Histidine-Containing Catalyst in the Bilayer Membrane","authors":"K. Maekawa, S. Ishikawa, H. Ishida, S. Nakagawa, K. Ohkubo, T. Yamabe","doi":"10.1023/A:1008282821592","DOIUrl":"https://doi.org/10.1023/A:1008282821592","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"12 1","pages":"9-24"},"PeriodicalIF":0.0,"publicationDate":"1998-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74293446","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. Gaudeau, J. Bergamini, P. Bobola, F. Brault, V. Rakotomalala, Vincent Munière, S. Benoist, E. Robert
{"title":"Expert System for Modeling and Simulating the Action of Electric and Electromagnetic Fields on Biological Membranes","authors":"C. Gaudeau, J. Bergamini, P. Bobola, F. Brault, V. Rakotomalala, Vincent Munière, S. Benoist, E. Robert","doi":"10.1023/A:1008279520967","DOIUrl":"https://doi.org/10.1023/A:1008279520967","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"101 1","pages":"31-59"},"PeriodicalIF":0.0,"publicationDate":"1998-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89036002","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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