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Modeling the temperature-dependent peptide vibrational spectra based on implicit-solvent model and enhance sampling technique 期刊论文
CHINESE PHYSICS B, 2016, 卷号: 25, 期号: 1
Authors:  Wu, Tianmin;  Wang, Tianjun;  Chen, Xian;  Fang, Bin;  Zhang, Ruiting;  Zhuang, Wei
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Peptide  Two-dimensional Infrared Spectra (2dir)  Folding Landscape  Implicit Solvent Model  
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:35/0  |  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)
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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)
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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)
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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