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Advances in Quantum Chemistry最新文献

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Mean-Field Methods for Time-Dependent Quantum Dynamics of Many-Atom Systems 多原子系统时变量子动力学的平均场方法
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 10.1016/BS.AIQ.2017.01.002
Barak Hirshberg, R. Gerber
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引用次数: 2
Electron–Ion Impact Energy Transfer in Nanoplasmas of Coulomb Exploding Clusters 库仑爆炸团簇纳米等离子体中的电子-离子冲击能量传递
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 10.1016/BS.AIQ.2017.01.003
J. Jortner
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引用次数: 3
Chapter Four - Specifics on the Scientific Legacy of Per-Olov Löwdin 第四章-关于Per-Olov科学遗产的细节Löwdin
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 10.1016/BS.AIQ.2016.04.004
C. F. Bunge
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引用次数: 3
Continuum Contributions to Dipole Oscillator-Strength Sum Rules for Hydrogen in Finite Basis Sets 有限基集中氢偶极子强度和规则的连续统贡献
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 10.1016/BS.AIQ.2017.02.001
J. Oddershede, J. Ogilvie, S. Sauer, J. Sabin
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引用次数: 8
Singlet Fission: Optimization of Chromophore Dimer Geometry 单线态裂变:发色团二聚体几何结构的优化
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 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}
引用次数: 27
Chapter Seven - Vibrational Quantum Squeezing Induced by Inelastic Collisions☆ 第七章:非弹性碰撞引起的振动量子压缩
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 10.1016/BS.AIQ.2016.05.002
M. Berrondo, J. Récamier
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引用次数: 0
High-Resolution Quantum-Mechanical Signal Processing for in vivo NMR Spectroscopy 体内核磁共振光谱的高分辨率量子力学信号处理
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 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}
引用次数: 8
Quantum Chemistry with Thermodynamic Condition. A Journey into the Supercritical Region and Approaching the Critical Point 热力学条件下的量子化学。进入超临界区域和接近临界点的旅程
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 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}
引用次数: 0
A Time-Dependent Density Functional Theory Study of the Impact of Ligand Passivation on the Plasmonic Behavior of Ag Nanoclusters 配体钝化对银纳米团簇等离子体行为影响的时变密度泛函理论研究
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 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}
引用次数: 1
Features of Nearly Spherical Electronic Systems 近球形电子系统的特点
4区 化学
Advances in Quantum Chemistry Pub Date : 2017-01-01 DOI: 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}
引用次数: 0
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