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Structure of aqueous cesium metaborate solutions by X-ray scattering and DFT calculation 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2018, 卷号: 1160, 页码: 26-32
Authors:  Zhang, W. Q.;  Fang, C. H.;  Fang, Y.;  Zhu, F. Y.;  Zhou, Y. Q.;  Liu, H. Y.;  Li, W.
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Cesium Metaborate  Aqueous Solution  X-ray Scattering  Diffusion Structure  Dft  
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
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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
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Sodium Ion  Dft  Cpmd  Micro Hydration  Rdf  
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.
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Nickel Ion  Coordination Number  Hydration Shell  Dft  Exafs  
Main chemical species and molecular structure of deep eutectic solvent studied by experiments with DFT calculation: a case of choline chloride and magnesium chloride hexahydrate 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 8
Authors:  Zhang, Chao;  Jia, Yongzhong;  Jing, Yan;  Wang, Huaiyou;  Hong, Kai
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Chcl-mgcl2 Center Dot 6h(2)o  Dft  Infrared Spectrum  Molecular Structure  
A series of Zn-II and Co-II complexes based on 2-(imidazo[1,5-a]pyridin-3-yl)phenol: syntheses, structures, and luminescent and magnetic properties 期刊论文
JOURNAL OF COORDINATION CHEMISTRY, 2014, 卷号: 67, 期号: 10, 页码: 1673-1692
Authors:  Gao, Qian;  Chen, Yanmei;  Liu, Yonglu;  Li, Cong;  Gao, Dandan;  Wu, Bing;  Li, Haiyan;  Li, Yahong;  Liu, Wei;  Li, Wu
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Crystal Structures  Dft And tdDft Calculations  2-(Imidazo[1  Luminescent Properties  5-a]Pyridin-3-yl)Phenol  Magnetic Properties  
Synthesis, Structures and DFT Studies of Imido-bridged and (Bis)ligand-coordinated Titanium Complexes 期刊论文
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2013, 卷号: 639, 期号: 10, 页码: 1876-1883
Authors:  Wu, Jian;  Chen, Yanmei;  Chen, Zhou;  Liu, Wei;  Li, Yahong;  Pei, Hao;  Liu, Yonglu;  Gao, Qian;  Li, Wu
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Titanium  Imido-bridged Complexes  (Bis)Ligand-coordinated Complexes  Schiff Base Ligand  Dft Studies  
Theoretical study on the consecutive 1,2-hydroboration and 1,1-organoboration reactions of alkyn-1-yl(vinyl) silane with borane 期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2008, 卷号: 693, 期号: 25, 页码: 3722-3728
Authors:  Xia, Yuanzhi;  Li, Yahong;  Li, Wu
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Dft Calculation  1  Si-h-b Interaction  2-hydroboration  1  Mechanism  1-organoboration  Energy