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DFT对Rb~+水合团簇及其相关性质的分析 期刊论文
盐湖研究, 2019, 卷号: 27, 期号: 03, 页码: 81-92
Authors:  张文倩;  葛蒲;  房春晖;  周永全;  朱发岩;  刘红艳;  李武
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[Rb(H_2O)_n]~+(n=1~12)水合团簇  配位数  水合离子  拉曼光谱  
SO_4~(2-)微观水合结构DFT研究 期刊论文
计算机与应用化学, 2019, 卷号: 36, 期号: 01, 页码: 50-64
Authors:  刘红艳;  周永全;  房春晖;  朱发岩;  张文倩;  韩丽
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[SO_4(H_2O)_n]~(2-)水合团簇  微观结构  DFT  氢键  
添加剂对储能材料CaCl_2·6H_2O+Ca(NO_3)_2·4H_2O相变温度和过冷温度的影响及其熔盐结构 期刊论文
材料科学与工程学报, 2019, 卷号: 37, 期号: 01, 页码: 160-167
Authors:  周红霞;  朱发岩;  房文超;  周永全;  刘红艳;  房春晖;  房艳
Adobe PDF(556Kb)  |  Favorite  |  View/Download:7/0  |  Submit date:2020/06/12
储能材料  过冷问题  熔盐结构  拉曼光谱  密度泛函理论  
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:48/0  |  Submit date:2018/06/20
Sodium Ion  Dft  Cpmd  Micro Hydration  Rdf  
Microhydration of BH4-: Dihydrogen Bonds, Structure, Stability, and Raman Spectra 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 47, 页码: 9146-9155
Authors:  Zhou, Yongquan;  Yoshida, Koji;  Yamaguchi, Toshio;  Liu, Hongyan;  Fang, Chunhui;  Fang, Yan
Favorite  |  View/Download:50/0  |  Submit date:2018/06/20
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:66/0  |  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:38/0  |  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:42/0  |  Submit date:2018/06/20
Nickel Ion  Coordination Number  Hydration Shell  Dft  Exafs  
偏硼酸钠溶液性质、结构及电化学还原 学位论文
: 中国科学院大学, 2014
Authors:  周永全
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偏硼酸钠溶液  溶液结构  x 射线散  径向分布函数  电化学还原  
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:390/31  |  Submit date:2013/07/02
Polyborate  Raman Spectrum  Aqueous Solution  Density Functional Theory  Characteristic Frequency  Ab Initio