G. Delgado‐barrio, A. García-Vela, C. García-Rizo, M. I. Hernández, P. Villarreal
{"title":"Sampling the Initial Conditions for Quasiclassical Trajectory Studies of Vibrational Predissociation Dynamics","authors":"G. Delgado‐barrio, A. García-Vela, C. García-Rizo, M. I. Hernández, P. Villarreal","doi":"10.1023/A:1008286515894","DOIUrl":"https://doi.org/10.1023/A:1008286515894","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"25 1","pages":"219-230"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73197272","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_8
L. Mihailov, M. Kirtcheva, A. Manov
{"title":"An Improved Method of Relaxation Rate Calculation in Double-Well Potential Systems","authors":"L. Mihailov, M. Kirtcheva, A. Manov","doi":"10.1007/978-94-011-4894-8_8","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_8","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"5 1","pages":"149-160"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73340678","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_7
S. Christov
{"title":"The Characteristic (Crossover) Temperature in the Theory of Thermally Activated Tunneling Processes","authors":"S. Christov","doi":"10.1007/978-94-011-4894-8_7","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_7","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"350 1","pages":"109-147"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77177880","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":"Optimized Effective Potential for Atoms and Molecules","authors":"T. Grabo, T. Kreibich, E. Gross","doi":"10.1023/A:1008218128189","DOIUrl":"https://doi.org/10.1023/A:1008218128189","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"16 1","pages":"27-50"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82091555","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_10
I. Rosenblum, E. Dashevskaya, E. E. Nikitin, I. Oref
{"title":"Effect of the Vibrational/Rotational Energy Partitioning on the Energy Transfer in Atom–Triatomic Molecule Collisions","authors":"I. Rosenblum, E. Dashevskaya, E. E. Nikitin, I. Oref","doi":"10.1007/978-94-011-4894-8_10","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_10","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"70 5 1","pages":"169-183"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87707704","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_5
T. Thorsteinsson, D. L. Cooper, J. Gerratt, M. Raimondi
{"title":"A New Approach to Valence Bond Calculations: CASVB","authors":"T. Thorsteinsson, D. L. Cooper, J. Gerratt, M. Raimondi","doi":"10.1007/978-94-011-4894-8_5","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_5","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"3 1","pages":"67-85"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73274192","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_13
C. Pisani, S. Casassa
{"title":"Energy Estimates for Local Chemical Processes in Condensed Matter","authors":"C. Pisani, S. Casassa","doi":"10.1007/978-94-011-4894-8_13","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_13","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"186 1","pages":"231-244"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74513459","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_11
E. Buonomo, F. Gianturco
{"title":"Fragmentation of Ar3+: The Role of Rotational and Vibrational Predissociation Dynamics","authors":"E. Buonomo, F. Gianturco","doi":"10.1007/978-94-011-4894-8_11","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_11","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"4 1","pages":"185-217"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87066226","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_14
A. Markovits, J. Ahdjoudj, C. Minot
{"title":"Theoretical Study of the TiO2 and MgO Surface Acidity and the Adsorption of Acids and Bases","authors":"A. Markovits, J. Ahdjoudj, C. Minot","doi":"10.1007/978-94-011-4894-8_14","DOIUrl":"https://doi.org/10.1007/978-94-011-4894-8_14","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"1 1","pages":"245-261"},"PeriodicalIF":0.0,"publicationDate":"1997-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88145291","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 European Workshop 'Quantum Systems in Chemistry and Physics'","authors":"R. Mcweeny","doi":"10.1023/A:1008296027281","DOIUrl":"https://doi.org/10.1023/A:1008296027281","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"53 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"1997-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89560226","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：