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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  
离子水溶液低频振动光谱的理论研究 期刊论文
中国科学物理学力学天文学, 2016, 卷号: 46, 期号: 5, 页码: 057004_01
Authors:  潘志君;  张睿挺;  庄巍
Favorite  |  View/Download:0/0  |  Submit date:2019/12/02
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:27/0  |  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:36/0  |  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:22/0  |  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)
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:23/0  |  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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