DICP OpenIR

Browse/Search Results:  1-10 of 16 Help

Selected(0)Clear Items/Page:    Sort:
Modeling Ester Carbonyl Stretching FTIR in Water and DMSO based on MD simulation and an ab initio Map 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 0, 页码: 12390
Authors:  Fang B(方彬);  Wang TJ(王天骏);  Chen X(陈娴);  Jin T(金坦);  Zhang RT(张睿挺);  Zhuang W(庄巍)
Favorite  |  View/Download:21/0  |  Submit date:2016/11/24
Modeling Vibrational Spectra of Ester Carbonyl Stretch in Water and DMSO Based on Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 38, 页码: 12390-12396
Authors:  Fang, Bin;  Wang, Tianjun;  Chen, Xian;  Jin, Tan;  Zhang, Ruiting;  Zhuang, Wei
Favorite  |  View/Download:26/0  |  Submit date:2015/11/17
Low frequency 2D Raman-THz spectroscopy of ionic solution: A simulation study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 21
Authors:  Pan, Zhijun;  Wu, Tianmin;  Jin, Tan;  Liu, Yong;  Nagata, Yuki;  Zhang, Ruiting;  Zhuang, Wei
Favorite  |  View/Download:33/0  |  Submit date:2015/11/17
Modeling the Low Frequency Vibrational Spectroscopy of Ionic Solutions 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2015, 卷号: 115, 期号: 9, 页码: 564-569
Authors:  Zhang, Ruiting;  Pan, Zhijun;  Zhuang, Wei
Favorite  |  View/Download:21/0  |  Submit date:2015/11/17
Ionic Solution  Dielectric Relaxation  Optical Kerr Effect  Molecule Dynamic  Projection Scheme  
Modeling the Low Frequency Vibrational Spectroscopy of the Ionic Solutions 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2014, 期号: 1, 页码: 24826
Authors:  Zhang RT(张睿挺);  Pan ZJ(潘志君);  Zhuang W(庄巍)
Adobe PDF(253Kb)  |  Favorite  |  View/Download:38/23  |  Submit date:2015/11/16
Simulating ion clustering in potassium thiocyanate aqueous solutions with various ion-water models 期刊论文
Science China-Chemistry, 2014, 卷号: 57, 期号: 12, 页码: 1723
Authors:  Wang TJ(王天骏);  Zhang RT(张睿挺);  Wu TM(吴天敏);  Li HH(李欢欢);  Zhuang W(庄巍)
Adobe PDF(1166Kb)  |  Favorite  |  View/Download:40/21  |  Submit date:2015/11/16
Simulating ion clustering in potassium thiocyanate aqueous solutions with various ion-water models 期刊论文
SCIENCE CHINA-CHEMISTRY, 2014, 卷号: 57, 期号: 12, 页码: 1723-1730
Authors:  Wang TianJun;  Zhang RuiTing;  Wu TianMin;  Li HuanHuan;  Zhuang Wei
Favorite  |  View/Download:20/0  |  Submit date:2015/11/17
Ion Clustering  Potassium Thiocyanate  Ion-water Models  
Pairing preferences of the model mono-valence mono-atomic ions investigated bymolecular simulation 期刊论文
Journal of Chemical Physics, 2014, 卷号: 140, 期号: 1, 页码: 184504
Authors:  Zhang Q(张强);  Zhang RT(张睿挺);  Zhao Y(赵英);  Li HH(李欢欢);  Gao YQ(髙毅勤);  Zhuang W(庄巍)
Adobe PDF(1226Kb)  |  Favorite  |  View/Download:47/28  |  Submit date:2015/11/16
Pairing preferences of the model mono-valence mono-atomic ions investigated by molecular simulation 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 18
Authors:  Zhang, Qiang;  Zhang, Ruiting;  Zhao, Ying;  Li, HuanHuan;  Gao, Yi Qin;  Zhuang, Wei
Favorite  |  View/Download:26/0  |  Submit date:2015/11/17
Cation effect in the ionic solution optical Kerr effect measurements: A simulation study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 5, 页码: 054507
Authors:  Zhang, Ruiting;  Zhuang, Wei;  Zhuang W(庄巍)
Adobe PDF(2776Kb)  |  Favorite  |  View/Download:111/17  |  Submit date:2014/09/11