{"title":"Theoretical Studies of the Electrostatic Effect on Carbocations Adsorbed over Zeolitic Sites","authors":"C. Mota, P. Esteves","doi":"10.1023/A:1008224428489","DOIUrl":"https://doi.org/10.1023/A:1008224428489","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"107 1","pages":"429-438"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80961112","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":"The Water Dimer: Post-Hartree-Fock and Density Functional Calculations on the Potential Energy Surface","authors":"O. Ventura, M. Kieninger, S. Suhai, G. Diercksen","doi":"10.1023/A:1008243505290","DOIUrl":"https://doi.org/10.1023/A:1008243505290","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"46 1","pages":"317-348"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88829968","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. M. V. de Andrade, Nivan B. da Costa, R. Longo, O. Malta, A. Simas, G. F. de Sá
{"title":"Modeling Lanthanide Complexes: Towards the Theoretical Design of Light Conversion Molecular Devices","authors":"A. M. V. de Andrade, Nivan B. da Costa, R. Longo, O. Malta, A. Simas, G. F. de Sá","doi":"10.1023/A:1008227001656","DOIUrl":"https://doi.org/10.1023/A:1008227001656","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"56 1","pages":"293-308"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88428224","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":"Spatial Structure of Dihydropyridines and Similarity of Dihydropyridines with some Amino Acids","authors":"I. Liepina, M. Blanco, G. Duburs, A. Liwo","doi":"10.1023/A:1008272311650","DOIUrl":"https://doi.org/10.1023/A:1008272311650","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"16 1","pages":"401-427"},"PeriodicalIF":0.0,"publicationDate":"1997-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85261118","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}
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}
Pub Date : 1997-03-01DOI: 10.1007/978-94-011-4894-8_6
M. Nascimento
{"title":"Studies of Chemical Structure, Spectroscopy and Electron Scattering Using Generalized Multistructural Wavefunctions","authors":"M. Nascimento","doi":"10.1007/978-94-011-4894-8_6","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_6","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"95 1","pages":"87-108"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84904166","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":"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}
Pub Date : 1997-03-01DOI: 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}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：