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Reconsideration on Hydration of Sodium Ion: From Micro-Hydration to Bulk Hydration 期刊论文
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 91, 期号: 13, 页码: 2539-2547
Authors:  Zhou Yongquan;  Fang Chunhui;  Fang Yan;  Zhu Fayan;  Ge Haiwen;  Liu Hongyan
Favorite  |  View/Download:39/0  |  Submit date:2018/06/20
Sodium Ion  Dft  Cpmd  Micro Hydration  Rdf  
Phase change performance assessment of salt mixtures for thermal energy storage material 期刊论文
INTERNATIONAL JOURNAL OF ENERGY RESEARCH, 2017, 卷号: 41, 期号: 13, 页码: 1855-1866
Authors:  Zhu, F. Y.;  Zhou, H. X.;  Zhou, Y. Q.;  Ge, H. W.;  Fang, W. C.;  Fang, Y.;  Fang, C. H.
Favorite  |  View/Download:57/0  |  Submit date:2018/06/20
Phase Change Material (Pcm)  Nucleating Agent  Supercooling Phenomena  Density Functional Theory  Molten Structure  
The investigation of structure and IR spectra for hydrated potassium ion clusters K+(H2O)(n=1-16) by density functional theory 期刊论文
EUROPEAN PHYSICAL JOURNAL D, 2016, 卷号: 70, 期号: 11
Authors:  Zhu, Fayan;  Zhou, Hongxia;  Zhou, Yongquan;  Miao, Juntao;  Fang, Chunhui;  Fang, Yan;  Sun, Pengchao;  Ge, Haiwen;  Liu, Hongyan
Favorite  |  View/Download:29/0  |  Submit date:2018/06/20
Characterizing Ni(II) hydration in aqueous solution using DFT and EXAFS 期刊论文
JOURNAL OF MOLECULAR MODELING, 2016, 卷号: 22, 期号: 1
Authors:  Liu, H. Y.;  Fang, C. H.;  Fang, Y.;  Zhou, Y. Q.;  Ge, H. W.;  Zhu, F. Y.;  Sun, P. C.;  Miao, J. T.
Favorite  |  View/Download:32/0  |  Submit date:2018/06/20
Nickel Ion  Coordination Number  Hydration Shell  Dft  Exafs  
硼酸钾溶液性质与结构 学位论文
, 北京: 中国科学院大学, 2013
Authors:  朱发岩
Adobe PDF(4861Kb)  |  Favorite  |  View/Download:161/9  |  Submit date:2015/04/08
X射线散  溶液结构  偏硼酸钾  四硼酸钾  五硼酸钾  径向分布函数  化学物种分布  
Polyborates in aqueous borate solution: A Raman and DFT theory investigation 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2011, 卷号: 83, 期号: 1, 页码: 82-87
Authors:  Zhou, Yongquan;  Fang, Chunhui;  Fang, Yan;  Zhu, Fayan
Adobe PDF(785Kb)  |  Favorite  |  View/Download:383/31  |  Submit date:2013/07/02
Polyborate  Raman Spectrum  Aqueous Solution  Density Functional Theory  Characteristic Frequency  Ab Initio