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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
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储能材料  过冷问题  熔盐结构  拉曼光谱  密度泛函理论  
Cs~+水合结构的密度泛函理论计算研究 期刊论文
盐湖研究, 2018, 卷号: 26, 期号: 04, 页码: 51-63
Authors:  张文倩;  房春晖;  朱发岩;  刘红艳;  李武;  王广国;  周永全
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[Cs(H_2o)_n]~+(N=1~15)水合团簇  配位数  水合离子  红外光谱  
RbCl和CsCl水溶液结构的X射线散射及经验势结构精修模拟(英文) 期刊论文
物理化学学报, 2018, 卷号: 34, 期号: 05, 页码: 483-491
Authors:  周永全;  曾我良枝;  山口敏男;  房艳;  房春晖
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Rbcl  Cscl  溶液结构  X射线散射  Epsr  
Li_2SO_4溶液中离子间的缔合相互作用:基于密度泛函理论和分子动力学模拟的研究 期刊论文
盐湖研究, 2018, 卷号: 26, 期号: 01, 页码: 39-47
Authors:  夏斐斐;  胡俊;  杨凤丽;  郑纯智;  房春晖;  曾德文;  易海波
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离子缔合  离子水合  接触离子对  溶剂共享离子对  密度泛函理论  分子动力学模拟  
Structure of Aqueous RbCl and CsCl Solutions Using X-Ray Scattering and Empirical Potential Structure Refinement Modelling 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 5, 页码: 483-491
Authors:  Zhou Yongquan;  Soga, Yoshie;  Yamaguchi, Toshio;  Fang Yan;  Fang Chunhui
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Rbcl  Cscl  Solution Structure  X-ray Scattering  Epsr  
Ab Initio Investigation of the Microspecies and Energy in Hydrated Strontium Ion Clusters 期刊论文
MOLECULAR PHYSICS, 2018, 卷号: 116, 期号: 2, 页码: 273-282
Authors:  Zhu, Fayan;  Zhou, Hongxia;  Fang, Chunhui;  Fang, Yan;  Zhou, Yongquan;  Liu, Hongyan
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Strontium  Hydrated Structure  Binding Energy  Ab Initio  
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  
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
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