Pub Date : 1900-01-01DOI: 10.1016/b978-0-12-815983-5.00017-9
L. Broadbelt, R. Cipullo, Michelle L. Coote, D. Cuccato, C. De Rosa, Isa Degirmenci, R. di Girolamo, C. Ehm, M. Grady, Z. Hou, Xiaohui Kang, I. Konstantinov, Yi Luo, Evangelos Mavroudakis, D. Moscatelli, R. Poli, A. Rappe, M. Soroush, S. Srinivasan, G. Talarico, F. Zaccaria
{"title":"List of Contributors","authors":"L. Broadbelt, R. Cipullo, Michelle L. Coote, D. Cuccato, C. De Rosa, Isa Degirmenci, R. di Girolamo, C. Ehm, M. Grady, Z. Hou, Xiaohui Kang, I. Konstantinov, Yi Luo, Evangelos Mavroudakis, D. Moscatelli, R. Poli, A. Rappe, M. Soroush, S. Srinivasan, G. Talarico, F. Zaccaria","doi":"10.1016/b978-0-12-815983-5.00017-9","DOIUrl":"https://doi.org/10.1016/b978-0-12-815983-5.00017-9","url":null,"abstract":"","PeriodicalId":225969,"journal":{"name":"Computational Quantum Chemistry","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127301551","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 : 1900-01-01DOI: 10.1016/B978-0-12-815983-5.00005-2
M. Soroush, A. Rappe
{"title":"Theoretical Insights Into Chain Transfer Reactions of Acrylates","authors":"M. Soroush, A. Rappe","doi":"10.1016/B978-0-12-815983-5.00005-2","DOIUrl":"https://doi.org/10.1016/B978-0-12-815983-5.00005-2","url":null,"abstract":"","PeriodicalId":225969,"journal":{"name":"Computational Quantum Chemistry","volume":"34 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114851217","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 : 1900-01-01DOI: 10.1016/B978-0-12-815983-5.00010-6
Xiaohui Kang, Yi Luo, Z. Hou
{"title":"Theoretical Insights into Olefin Polymerization Catalyzed by Cationic Organo Rare-Earth Metal Complexes","authors":"Xiaohui Kang, Yi Luo, Z. Hou","doi":"10.1016/B978-0-12-815983-5.00010-6","DOIUrl":"https://doi.org/10.1016/B978-0-12-815983-5.00010-6","url":null,"abstract":"","PeriodicalId":225969,"journal":{"name":"Computational Quantum Chemistry","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129457179","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 : 1900-01-01DOI: 10.1016/B978-0-12-815983-5.00002-7
I. Konstantinov, L. Broadbelt
{"title":"A Quantum Mechanical Approach for Accurate Rate Parameters of Free-Radical Polymerization Reactions","authors":"I. Konstantinov, L. Broadbelt","doi":"10.1016/B978-0-12-815983-5.00002-7","DOIUrl":"https://doi.org/10.1016/B978-0-12-815983-5.00002-7","url":null,"abstract":"","PeriodicalId":225969,"journal":{"name":"Computational Quantum Chemistry","volume":"58 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128428703","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 : 1900-01-01DOI: 10.1016/B978-0-12-815983-5.00009-X
C. Ehm, F. Zaccaria, R. Cipullo
{"title":"From Mechanistic Investigation to Quantitative Prediction","authors":"C. Ehm, F. Zaccaria, R. Cipullo","doi":"10.1016/B978-0-12-815983-5.00009-X","DOIUrl":"https://doi.org/10.1016/B978-0-12-815983-5.00009-X","url":null,"abstract":"","PeriodicalId":225969,"journal":{"name":"Computational Quantum Chemistry","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124981602","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 : 1900-01-01DOI: 10.1016/B978-0-12-815983-5.00003-9
Evangelos Mavroudakis, D. Cuccato, D. Moscatelli
{"title":"Determination of Reaction Rate Coefficients in Free-Radical Polymerization Using Density Functional Theory","authors":"Evangelos Mavroudakis, D. Cuccato, D. Moscatelli","doi":"10.1016/B978-0-12-815983-5.00003-9","DOIUrl":"https://doi.org/10.1016/B978-0-12-815983-5.00003-9","url":null,"abstract":"","PeriodicalId":225969,"journal":{"name":"Computational Quantum Chemistry","volume":"187 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121063627","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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