Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2017.01.002
Barak Hirshberg, R. Gerber
{"title":"Mean-Field Methods for Time-Dependent Quantum Dynamics of Many-Atom Systems","authors":"Barak Hirshberg, R. Gerber","doi":"10.1016/BS.AIQ.2017.01.002","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.01.002","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"75 1","pages":"1-26"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.01.002","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2017.01.003
J. Jortner
{"title":"Electron–Ion Impact Energy Transfer in Nanoplasmas of Coulomb Exploding Clusters","authors":"J. Jortner","doi":"10.1016/BS.AIQ.2017.01.003","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.01.003","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"75 1","pages":"27-52"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.01.003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2016.04.004
C. F. Bunge
{"title":"Chapter Four - Specifics on the Scientific Legacy of Per-Olov Löwdin","authors":"C. F. Bunge","doi":"10.1016/BS.AIQ.2016.04.004","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2016.04.004","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"74 1","pages":"53-82"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2016.04.004","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54040393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2017.02.001
J. Oddershede, J. Ogilvie, S. Sauer, J. Sabin
{"title":"Continuum Contributions to Dipole Oscillator-Strength Sum Rules for Hydrogen in Finite Basis Sets","authors":"J. Oddershede, J. Ogilvie, S. Sauer, J. Sabin","doi":"10.1016/BS.AIQ.2017.02.001","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.02.001","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"75 1","pages":"229-241"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.02.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2017.03.005
Eric A. Buchanan, Z. Havlas, J. Michl
{"title":"Singlet Fission: Optimization of Chromophore Dimer Geometry","authors":"Eric A. Buchanan, Z. Havlas, J. Michl","doi":"10.1016/BS.AIQ.2017.03.005","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.03.005","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"75 1","pages":"175-227"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.03.005","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041323","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2016.06.004
D. Belkić, K. Belkic
{"title":"High-Resolution Quantum-Mechanical Signal Processing for in vivo NMR Spectroscopy","authors":"D. Belkić, K. Belkic","doi":"10.1016/BS.AIQ.2016.06.004","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2016.06.004","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"74 1","pages":"347-379"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2016.06.004","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54040654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2016.06.006
Marcelo Hidalgo Cardenuto, K. Coutinho, S. Canuto
{"title":"Quantum Chemistry with Thermodynamic Condition. A Journey into the Supercritical Region and Approaching the Critical Point","authors":"Marcelo Hidalgo Cardenuto, K. Coutinho, S. Canuto","doi":"10.1016/BS.AIQ.2016.06.006","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2016.06.006","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"74 1","pages":"253-265"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2016.06.006","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54040823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2017.01.001
Adam P. Ashwell, M. Ratner, G. Schatz
{"title":"A Time-Dependent Density Functional Theory Study of the Impact of Ligand Passivation on the Plasmonic Behavior of Ag Nanoclusters","authors":"Adam P. Ashwell, M. Ratner, G. Schatz","doi":"10.1016/BS.AIQ.2017.01.001","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.01.001","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"75 1","pages":"117-145"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.01.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54040936","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2017.02.003
J. Linderberg, J. Linderberg, J. Linderberg
{"title":"Features of Nearly Spherical Electronic Systems","authors":"J. Linderberg, J. Linderberg, J. Linderberg","doi":"10.1016/BS.AIQ.2017.02.003","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.02.003","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"75 1","pages":"243-266"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.02.003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041173","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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