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Active Mechanism of the Interphase Film-Forming Process for an Electrolyte Based on a Sulfolane Solvent and a Chelato-Borate Complex 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 30, 页码: 25744-25753
Authors:  Li, Chunlei;  Wang, Peng;  Li, Shiyou;  Zhao, Dongni;  Zhao, Qiuping;  Liu, Haining;  Cui, Xiaoling
Favorite  |  View/Download:71/0  |  Submit date:2018/10/11
Lithium Bis(Oxalato)Borate  Sulfolane  Electric Double Layer  Solid Electrolyte Interphase  Density Functional Theory  
Ab Initio Investigation of the Micro-species in [CaCl2(H2O) (n=0-12)] and Their Raman Spectra 期刊论文
JOURNAL OF CLUSTER SCIENCE, 2018, 卷号: 29, 期号: 4, 页码: 605-616
Authors:  Zhou, Hongxia;  Zhu, Fayan;  Zhou, Yongquan;  Liu, Hongyan;  Fang, Yan;  Fang, Chunhui
Favorite  |  View/Download:49/0  |  Submit date:2018/11/20
Calcium Chloride  Density Functional Theory  Solution Structure  Micro-species  Raman Spectra  
CO adsorption, dissociation and coupling formation mechanisms on Fe2C(001) surface 期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 434, 页码: 464-472
Authors:  Yu, Xiaohu;  Zhang, Xuemei;  Meng, Yan;  Zhao, Yaoping;  Li, Yuan;  Xu, Wei;  Liu, Zhong
Favorite  |  View/Download:57/0  |  Submit date:2018/06/20
Dft  Iron Carbide  Fischer-tropsch Synthesis  Co Adsorption  Dissociation  Coupling  
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  
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:41/0  |  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:57/0  |  Submit date:2018/06/20
Phase Change Material (Pcm)  Nucleating Agent  Supercooling Phenomena  Density Functional Theory  Molten Structure  
A fluorescein- based chemosensor for relay fluorescence recognition of Cu(II) ions and biothiols in water and its applications to a molecular logic gate and living cell imaging 期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2017, 卷号: 15, 期号: 19, 页码: 4115-4121
Authors:  Fu, Zhen-Hai;  Yan, Lu-Bin;  Zhang, Xiaolong;  Zhu, Fan-Fan;  Han, Xin-Long;  Fang, Jianguo;  Wang, Ya-Wen;  Peng, Yu
Favorite  |  View/Download:37/0  |  Submit date:2017/11/24
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  
Assembly of a New Fluorescent Cd(II) Coordination Compound with a Versatile Multidentate N-Donor Building Block 3-(2-Pyridyl)-5-(3 '-pyridyl)-1,2,4-triazole 期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2015, 卷号: 34, 期号: 10, 页码: 1525-1532
Authors:  Li Ting;  Meng Qing-Fen;  Li Bing;  Jin Xiao-Dong;  Gao Hui;  Chen Xiao-Yan;  Song Wei-Ming;  Liu Wan-Yi
Favorite  |  View/Download:34/0  |  Submit date:2018/06/20
Benzoic Acid  2  Cadmium(Ii) Complex  3 '-hbpt  Crystal Structure  Luminescence