{"title":"ZnO nanorod arrays: Dependence of morphology upon ammonia","authors":"Yulin Xie, Danlian Liu, Mingqi Gao, Ruixia Tan, Yan Wang, Dongqi Yu","doi":"10.1007/S11458-011-0260-7","DOIUrl":"https://doi.org/10.1007/S11458-011-0260-7","url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2011-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0260-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52803931","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}
Pub Date : 2011-12-06DOI: 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":null,"pages":null},"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}
Pub Date : 2011-12-05DOI: 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":null,"pages":null},"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}
Pub Date : 2011-12-05DOI: 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":null,"pages":null},"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}
Pub Date : 2011-12-05DOI: 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":null,"pages":null},"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}
Pub Date : 2011-12-05DOI: 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":null,"pages":null},"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}
Pub Date : 2011-11-28DOI: 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":null,"pages":null},"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}
Pub Date : 2011-11-05DOI: 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":null,"pages":null},"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}
Pub Date : 2011-10-30DOI: 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":null,"pages":null},"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}
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