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Chemical Reactivity in Confined Systems最新文献

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Electronic Structure of Systems Confined by Several Spatial Restrictions 几种空间约束下系统的电子结构
Chemical Reactivity in Confined Systems Pub Date : 2021-08-23 DOI: 10.1002/9781119683353.ch4
Juan-José García-Miranda, Jorge Garza, Ilich A. Ibarra, Ana Martínez, Michael-Adán Martínez-Sánchez, Marcos Rivera-Almazo, R. Vargas
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引用次数: 0
Effect of Confinement on Gas Storage Potential and Catalytic Activity 限制对气体储存电位和催化活性的影响
Chemical Reactivity in Confined Systems Pub Date : 2021-08-23 DOI: 10.1002/9781119683353.ch16
Debdutta Chakraborty, S. Mondal, Ranjita Das, P. Chattaraj
{"title":"Effect of Confinement on Gas Storage Potential and Catalytic Activity","authors":"Debdutta Chakraborty, S. Mondal, Ranjita Das, P. Chattaraj","doi":"10.1002/9781119683353.ch16","DOIUrl":"https://doi.org/10.1002/9781119683353.ch16","url":null,"abstract":"","PeriodicalId":314781,"journal":{"name":"Chemical Reactivity in Confined Systems","volume":"13 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123674987","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}
引用次数: 0
Confinement Induced Chemical Bonding: Case of Noble Gases 约束诱导化学键:稀有气体的情况
Chemical Reactivity in Confined Systems Pub Date : 2021-08-23 DOI: 10.1002/9781119683353.ch14
S. Pan, G. Merino, Lili Zhao
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引用次数: 0
Effect of Both Structural and Electronic Confinements on Interaction, Chemical Reactivity and Properties 结构和电子限制对相互作用、化学反应性和性质的影响
Chemical Reactivity in Confined Systems Pub Date : 2021-08-23 DOI: 10.1002/9781119683353.ch15
M. Ravva, R. Pawar, Shyam Vinod Kumar Panneer, Venkata Surya Kumar Choutipalli, V. Subramanian
{"title":"Effect of Both Structural and Electronic Confinements on Interaction, Chemical Reactivity and Properties","authors":"M. Ravva, R. Pawar, Shyam Vinod Kumar Panneer, Venkata Surya Kumar Choutipalli, V. Subramanian","doi":"10.1002/9781119683353.ch15","DOIUrl":"https://doi.org/10.1002/9781119683353.ch15","url":null,"abstract":"","PeriodicalId":314781,"journal":{"name":"Chemical Reactivity in Confined Systems","volume":"121 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128494751","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}
引用次数: 0
Chemical Reactivity Within the Spin‐Polarized Framework of Density Functional Theory 密度泛函理论中自旋极化框架内的化学反应性
Chemical Reactivity in Confined Systems Pub Date : 2021-08-23 DOI: 10.1002/9781119683353.ch8
E. Chamorro, P. Perez
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引用次数: 1
Pressure‐Induced Phase Transitions 压力诱导相变
Chemical Reactivity in Confined Systems Pub Date : 2021-08-13 DOI: 10.1002/9781119683353.ch2
W. Grochala
{"title":"Pressure‐Induced Phase Transitions","authors":"W. Grochala","doi":"10.1002/9781119683353.ch2","DOIUrl":"https://doi.org/10.1002/9781119683353.ch2","url":null,"abstract":"","PeriodicalId":314781,"journal":{"name":"Chemical Reactivity in Confined Systems","volume":"32 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116658036","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}
引用次数: 4
A Perspective on the So‐Called Dual Descriptor 所谓对偶描述子的透视
Chemical Reactivity in Confined Systems Pub Date : 2021-08-13 DOI: 10.1002/9781119683353.ch6
F. Guégan, L. Merzoud, H. Chermette, C. Morell
{"title":"A Perspective on the So‐Called Dual Descriptor","authors":"F. Guégan, L. Merzoud, H. Chermette, C. Morell","doi":"10.1002/9781119683353.ch6","DOIUrl":"https://doi.org/10.1002/9781119683353.ch6","url":null,"abstract":"In this chapter, the so-called dual descriptor from conceptual DFT framework is reviewed. the power of the dual descriptor is highlighted by selected examples","PeriodicalId":314781,"journal":{"name":"Chemical Reactivity in Confined Systems","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129725773","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}
引用次数: 0
Index 指数
Chemical Reactivity in Confined Systems Pub Date : 2021-08-13 DOI: 10.1002/9781119683353.index
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引用次数: 0
Conceptual Density Functional Theory in the Grand Canonical Ensemble 大正则系综中的概念密度泛函理论
Chemical Reactivity in Confined Systems Pub Date : 2021-08-13 DOI: 10.1002/9781119683353.ch11
J. Gázquez, Marco Franco-Pérez, P. Ayers, A. Vela
{"title":"Conceptual Density Functional Theory in the Grand Canonical Ensemble","authors":"J. Gázquez, Marco Franco-Pérez, P. Ayers, A. Vela","doi":"10.1002/9781119683353.ch11","DOIUrl":"https://doi.org/10.1002/9781119683353.ch11","url":null,"abstract":"","PeriodicalId":314781,"journal":{"name":"Chemical Reactivity in Confined Systems","volume":"30 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116645520","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}
引用次数: 0
Chemical Binding and Reactivity Parameters: A Unified Coarse Grained Density Functional View 化学结合和反应性参数:统一的粗粒度密度功能视图
Chemical Reactivity in Confined Systems Pub Date : 2021-08-13 DOI: 10.1002/9781119683353.ch9
Swapan K. Ghosh
{"title":"Chemical Binding and Reactivity Parameters: A Unified Coarse Grained Density Functional View","authors":"Swapan K. Ghosh","doi":"10.1002/9781119683353.ch9","DOIUrl":"https://doi.org/10.1002/9781119683353.ch9","url":null,"abstract":"","PeriodicalId":314781,"journal":{"name":"Chemical Reactivity in Confined Systems","volume":"29 10","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131776606","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}
引用次数: 1
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