ISL OpenIR

Browse/Search Results:  1-10 of 52 Help

  Show only claimed items
Selected(0)Clear Items/Page:    Sort:
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
Adobe PDF(7773Kb)  |  Favorite  |  View/Download:4/0  |  Submit date:2020/06/12
[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
Adobe PDF(1639Kb)  |  Favorite  |  View/Download:5/0  |  Submit date:2020/06/12
[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:4/0  |  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  
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
Adobe PDF(11672Kb)  |  Favorite  |  View/Download:26/0  |  Submit date:2019/06/11
[Cs(H_2o)_n]~+(N=1~15)水合团簇  配位数  水合离子  红外光谱  
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:57/0  |  Submit date:2018/11/20
Calcium Chloride  Density Functional Theory  Solution Structure  Micro-species  Raman Spectra  
Raman spectroscopy and ab initio quantum chemical calculations of ion association behavior in calcium nitrate solution 期刊论文
JOURNAL OF RAMAN SPECTROSCOPY, 2018, 卷号: 49, 期号: 5, 页码: 852-861
Authors:  Zhu, Fayan;  Zhou, Hongxia;  Wang, Xiufang;  Zhou, Yongquan;  Liu, Hongyan;  Fang, Chunhui;  Fang, Yan
Favorite  |  View/Download:19/0  |  Submit date:2018/11/20
Ab Initio Method  Calcium Nitrate  Component Analysis  Ion Pair  Raman Spectroscopy  
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
Favorite  |  View/Download:62/0  |  Submit date:2018/06/20
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
Favorite  |  View/Download:45/0  |  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:64/0  |  Submit date:2018/06/20
Phase Change Material (Pcm)  Nucleating Agent  Supercooling Phenomena  Density Functional Theory  Molten Structure  
Ab Initio Investigation of the Micro-species and Raman Spectra in Ca(NO3)(2) Solution 期刊论文
JOURNAL OF CLUSTER SCIENCE, 2017, 卷号: 28, 期号: 4, 页码: 2293-2307
Authors:  Zhu, Fayan;  Zhou, Hongxia;  Zhou, Yongquan;  Ge, Haiwen;  Liu, Hongyan;  Fang, Chunhui;  Fang, Yan
Favorite  |  View/Download:57/0  |  Submit date:2018/06/20
Calcium Nitrate  Ab Initio Method  Contact Ion Pair  Solvent Shared Ion Pair  Raman Spectroscopy