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Frontiers of Chemistry in China最新文献

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ZnO nanorod arrays: Dependence of morphology upon ammonia 氧化锌纳米棒阵列:形貌对氨的依赖性
Frontiers of Chemistry in China Pub Date : 2011-12-06 DOI: 10.1007/S11458-011-0260-7
Yulin Xie, Danlian Liu, Mingqi Gao, Ruixia Tan, Yan Wang, Dongqi Yu
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引用次数: 0
Computational study of topological effects on intramolecular electron transfer in mixed-valence compounds 混合价化合物分子内电子转移拓扑效应的计算研究
Frontiers of Chemistry in China Pub Date : 2011-12-06 DOI: 10.1007/S11458-011-0257-2
Yinxi Yu, Haobin Wang
{"title":"Computational study of topological effects on intramolecular electron transfer in mixed-valence compounds","authors":"Yinxi Yu, Haobin Wang","doi":"10.1007/S11458-011-0257-2","DOIUrl":"https://doi.org/10.1007/S11458-011-0257-2","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":"6 1","pages":"280-286"},"PeriodicalIF":0.0,"publicationDate":"2011-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0257-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52803791","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
Calculations of ionization energies and electron affinities for atoms and molecules: A comparative study with different methods 原子和分子的电离能和电子亲和力的计算:不同方法的比较研究
Frontiers of Chemistry in China Pub Date : 2011-12-05 DOI: 10.1007/S11458-011-0256-3
N. Su, Igor Ying Zhang, Jianming Wu, Xin Xu
{"title":"Calculations of ionization energies and electron affinities for atoms and molecules: A comparative study with different methods","authors":"N. Su, Igor Ying Zhang, Jianming Wu, Xin Xu","doi":"10.1007/S11458-011-0256-3","DOIUrl":"https://doi.org/10.1007/S11458-011-0256-3","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":"6 1","pages":"269-279"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0256-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52803673","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: 23
Surface-enhanced Raman scattering (SERS) based on surface plasmon resonance coupling techniques 基于表面等离子体共振耦合技术的表面增强拉曼散射
Frontiers of Chemistry in China Pub Date : 2011-12-05 DOI: 10.1007/S11458-011-0258-1
Shuping Xu, Yu Liu, Haibo Li, Weiqing Xu
{"title":"Surface-enhanced Raman scattering (SERS) based on surface plasmon resonance coupling techniques","authors":"Shuping Xu, Yu Liu, Haibo Li, Weiqing Xu","doi":"10.1007/S11458-011-0258-1","DOIUrl":"https://doi.org/10.1007/S11458-011-0258-1","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":"6 1","pages":"341-354"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0258-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52803833","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: 2
Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics 用从头算法和原子键电负性均衡法对过氧化氢水化反应的理论研究融合到分子力学中
Frontiers of Chemistry in China Pub Date : 2011-12-05 DOI: 10.1007/S11458-011-0259-0
Chun-yang Yu, Li-Dong Gong, Zhong-Zhi Yang
{"title":"Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics","authors":"Chun-yang Yu, Li-Dong Gong, Zhong-Zhi Yang","doi":"10.1007/S11458-011-0259-0","DOIUrl":"https://doi.org/10.1007/S11458-011-0259-0","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":"6 1","pages":"287-299"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0259-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52803872","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: 3
Electronic band structure from first-principles Green’s function approach: theory and implementations 第一原理格林函数方法的电子能带结构:理论与实现
Frontiers of Chemistry in China Pub Date : 2011-12-05 DOI: 10.1007/S11458-011-0261-6
Hong Jiang
{"title":"Electronic band structure from first-principles Green’s function approach: theory and implementations","authors":"Hong Jiang","doi":"10.1007/S11458-011-0261-6","DOIUrl":"https://doi.org/10.1007/S11458-011-0261-6","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":"6 1","pages":"253-268"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0261-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52803989","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: 3
Preparation of polymer nanoparticles, and the effect of nanoconfinement on glass transition, structural relaxation and crystallization 聚合物纳米粒子的制备，以及纳米约束对玻璃化转变、结构弛豫和结晶的影响
Frontiers of Chemistry in China Pub Date : 2011-12-05 DOI: 10.1007/S11458-011-0262-5
Rong Chen, Ding-hai Huang
{"title":"Preparation of polymer nanoparticles, and the effect of nanoconfinement on glass transition, structural relaxation and crystallization","authors":"Rong Chen, Ding-hai Huang","doi":"10.1007/S11458-011-0262-5","DOIUrl":"https://doi.org/10.1007/S11458-011-0262-5","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":"6 1","pages":"332-340"},"PeriodicalIF":0.0,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0262-5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52804062","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: 9
Self-consistent field theory and its applications in polymer systems 自洽场理论及其在聚合物体系中的应用
Frontiers of Chemistry in China Pub Date : 2011-11-28 DOI: 10.1007/S11458-011-0251-8
Dadong Yan, Tongchuan Suo, Xinghua Zhang, Xingkun Man, B. Miao
{"title":"Self-consistent field theory and its applications in polymer systems","authors":"Dadong Yan, Tongchuan Suo, Xinghua Zhang, Xingkun Man, B. Miao","doi":"10.1007/S11458-011-0251-8","DOIUrl":"https://doi.org/10.1007/S11458-011-0251-8","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":"6 1","pages":"310-331"},"PeriodicalIF":0.0,"publicationDate":"2011-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0251-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52803302","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: 5
Molecular structure and vibrational spectra of phenobaraitone by density functional theory and ab initio hartree-Fock calculations 用密度泛函理论和从头计算hartree-Fock计算苯巴雷酮的分子结构和振动谱
Frontiers of Chemistry in China Pub Date : 2011-11-05 DOI: 10.1007/S11458-011-0255-4
Rui-Zhou Zhang, Xiao‐Hong Li, Xian-zhou Zhang
{"title":"Molecular structure and vibrational spectra of phenobaraitone by density functional theory and ab initio hartree-Fock calculations","authors":"Rui-Zhou Zhang, Xiao‐Hong Li, Xian-zhou Zhang","doi":"10.1007/S11458-011-0255-4","DOIUrl":"https://doi.org/10.1007/S11458-011-0255-4","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":"6 1","pages":"358-366"},"PeriodicalIF":0.0,"publicationDate":"2011-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0255-4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52803611","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: 12
A study of chemical reactions in coarse-grained simulations 粗粒度模拟中化学反应的研究
Frontiers of Chemistry in China Pub Date : 2011-10-30 DOI: 10.1007/S11458-011-0252-7
Hong Liu, Zhong-yuan Lu
{"title":"A study of chemical reactions in coarse-grained simulations","authors":"Hong Liu, Zhong-yuan Lu","doi":"10.1007/S11458-011-0252-7","DOIUrl":"https://doi.org/10.1007/S11458-011-0252-7","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":"6 1","pages":"300-309"},"PeriodicalIF":0.0,"publicationDate":"2011-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0252-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52803462","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: 2
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