Pub Date : 2017-01-01DOI: 10.1016/BS.AIQ.2017.03.003
M. Sabio, S. Topiol
{"title":"Switching Activity of Allosteric Modulators Controlled by a Cluster of Residues Forming a Pressure Point in the mGluR5 GPCR: A Computational Investigation","authors":"M. Sabio, S. Topiol","doi":"10.1016/BS.AIQ.2017.03.003","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2017.03.003","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"75 1","pages":"147-174"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2017.03.003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54041247","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.2016.04.001
J. Linderberg, Y. Öhrn, E. Brändas, J. Sabin
{"title":"Per-Olov Löwdin","authors":"J. Linderberg, Y. Öhrn, E. Brändas, J. Sabin","doi":"10.1016/BS.AIQ.2016.04.001","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2016.04.001","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"74 1","pages":"1-7"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2016.04.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54040273","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.2016.06.001
D. Micha
{"title":"Chapter Six - Quantum Partitioning Methods for Few-Atom and Many-Atom Dynamics☆","authors":"D. Micha","doi":"10.1016/BS.AIQ.2016.06.001","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2016.06.001","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"74 1","pages":"107-128"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2016.06.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54040525","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.2016.06.005
S. Larsson
{"title":"Quantum Chemistry and Superconductors","authors":"S. Larsson","doi":"10.1016/BS.AIQ.2016.06.005","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2016.06.005","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"74 1","pages":"209-226"},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2016.06.005","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54040713","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 : 2016-01-01DOI: 10.1016/BS.AIQ.2015.07.002
Adam Buksztel, S. Śmiga, I. Grabowski
{"title":"The Correlation Effects in Density Functional Theory Along the Dissociation Path","authors":"Adam Buksztel, S. Śmiga, I. Grabowski","doi":"10.1016/BS.AIQ.2015.07.002","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2015.07.002","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"73 1","pages":"263-283"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2015.07.002","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54039808","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 : 2016-01-01DOI: 10.1016/BS.AIQ.2015.05.001
M. Musiał, Anna Motyl, Patrycja Skupin, S. Kucharski
{"title":"Potential Energy Curves for the Low-Lying Electronic States of KLi with Fock Space Coupled Cluster Method","authors":"M. Musiał, Anna Motyl, Patrycja Skupin, S. Kucharski","doi":"10.1016/BS.AIQ.2015.05.001","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2015.05.001","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"72 1","pages":"201-216"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2015.05.001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54039479","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 : 2016-01-01DOI: 10.1016/BS.AIQ.2015.05.003
J. Yasui
{"title":"Introducing a Polynomial Expression of Molecular Integrals for Algebraic the Molecular Orbital (MO) Equation","authors":"J. Yasui","doi":"10.1016/BS.AIQ.2015.05.003","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2015.05.003","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"73 1","pages":"161-172"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2015.05.003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54039586","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 : 2016-01-01DOI: 10.1016/BS.AIQ.2015.06.007
P. Hoggan, J. E. Pérez, A. Bouferguene
{"title":"An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multicenter Integrals Involving 1s Slater-Type Orbitals","authors":"P. Hoggan, J. E. Pérez, A. Bouferguene","doi":"10.1016/BS.AIQ.2015.06.007","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2015.06.007","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"73 1","pages":"139-144"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2015.06.007","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54039773","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 : 2016-01-01DOI: 10.1016/BS.AIQ.2015.09.003
A. Roggero, P. Mori, A. Mukherjee, F. Pederiva
{"title":"Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions","authors":"A. Roggero, P. Mori, A. Mukherjee, F. Pederiva","doi":"10.1016/BS.AIQ.2015.09.003","DOIUrl":"https://doi.org/10.1016/BS.AIQ.2015.09.003","url":null,"abstract":"","PeriodicalId":7375,"journal":{"name":"Advances in Quantum Chemistry","volume":"73 1","pages":"315-332"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.AIQ.2015.09.003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"54039895","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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