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An investigation about the structures, thermodynamics and kinetics of the formic acid involved molecular clusters 期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 507, 期号: 无, 页码: 44-50
作者:  Zhang, Rui;  Jiang, Shuai;  Liu, Yi-Rong;  Wen, Hui;  Feng, Ya-Juan;  Huang, Teng;  Huang, Wei
浏览  |  Adobe PDF(1386Kb)  |  收藏  |  浏览/下载：76/35  |  提交时间：2019/08/23
Interaction of sulfonated graphene oxide with U(VI) studied by spectroscopic analysis and theoretical calculations 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2017, 卷号: 310, 期号: 无, 页码: 292-299
作者:  Sun, Yubing;  Wang, Xiangxue;  Ai, Yuejie;  Yu, Zhimin;  Huang, Wei;  Chen, Changlun;  Hayat, Tasawar;  Alsaedi, Ahmed;  Wang, Xiangke
浏览  |  Adobe PDF(1331Kb)  |  收藏  |  浏览/下载：119/66  |  提交时间：2017/11/23
Sulfonated Graphene Oxide  u(Vi)  Interaction Mechanism  Dft Calculation  
Structure, temperature effect and bonding order analysis of hydrated bromide clusters 期刊论文
CHEMICAL PHYSICS, 2016, 卷号: 479, 期号: 无, 页码: 129-142
作者:  Wen, Hui;  Huang, Teng;  Liu, Yi-Rong;  Jiang, Shuai;  Peng, Xiu-Qiu;  Miao, Shou-Kui;  Wang, Chun-Yu;  Hong, Yu;  Huang, Wei
Adobe PDF(3914Kb)  |  收藏  |  浏览/下载：99/47  |  提交时间：2017/07/11
Hydrated Halide  Bond Order  Temperature Effect  Basin-hopping  
pi-Hydrogen Bonding of Aromatics on the Surface of Aerosols: Insights from Ab Initio and Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 27, 页码: 6667-6673
作者:  Feng, Ya-Juan;  Huang, Teng;  Wang, Chao;  Liu, Yi-Rong;  Jiang, Shuai;  Miao, Shou-Kui;  Chen, Jiao;  Huang, Wei
Adobe PDF(1612Kb)  |  收藏  |  浏览/下载：64/20  |  提交时间：2017/07/07
Examining the structural evolution of bicarbonate-water clusters: insights from photoelectron spectroscopy, basin-hopping structural search, and comparison with available IR spectral studies 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 26, 页码: 17470-17482
作者:  Wen, Hui;  Hou, Gao-Lei;  Liu, Yi-Rong;  Wang, Xue-Bin;  Huang, Wei
Adobe PDF(4384Kb)  |  收藏  |  浏览/下载：81/16  |  提交时间：2017/07/06
A density functional theory study on structures, stabilities, and electronic and magnetic properties of AunC (n=1-9) clusters 期刊论文
CHEMICAL PHYSICS, 2016, 卷号: 472, 期号: 无, 页码: 50-60
作者:  Hou, Xiao-Fei;  Yan, Li-Li;  Huang, Teng;  Hong, Yu;  Miao, Shou-Kui;  Peng, Xiu-Qiu;  Liu, Yi-Rong;  Huang, Wei
浏览  |  Adobe PDF(1956Kb)  |  收藏  |  浏览/下载：74/18  |  提交时间：2017/07/03
Gold Cluster  Carbon  Basin-hopping  Density Functional Theory  
Bidirectional Interaction of Alanine with Sulfuric Acid in the Presence of Water and the Atmospheric Implication 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 120, 期号: 15, 页码: 2357-2371
作者:  Chun-Yu Wang;  Yan Ma;  Jiao Chen;  Shuai Jiang;  Yi-Rong Liu;  Hui Wen;  Ya-Juan Feng;  Yu Hong;  Teng Huang;  Wei Huang
Adobe PDF(8624Kb)  |  收藏  |  浏览/下载：89/50  |  提交时间：2017/07/04
Study of Cl-(H2O)(n) (n=1-4) Using Basin-Hopping Method Coupled with Density Functional Theory 期刊论文
Journal of Computational Chemistry, 2014, 卷号: 35, 期号: 2, 页码: 159-165
作者:  Shuai Jiang;  Yi-Rong Liu;  Wei-Xiong Zhao;  Wei-Jun Zhang;  Wei Huang;  Teng Huang;  Hui Wen;  Kang-Ming Xu
Adobe PDF(641Kb)  |  收藏  |  浏览/下载：42/25  |  提交时间：2015/11/30
Theoretical Study of the Hydration of Atmospheric Nucleation Precursors with Acetic Acid 期刊论文
The Journal of Physical Chemistry A, 2014, 卷号: 118, 期号: 36, 页码: 7959-7974
作者:  Yu-Peng Zhu;  Yi-Rong Liu;  Hui Wen;  Wei-Jun Zhang;  Wei Huang;  Teng Huang;  Shuai Jiang;  Kang-Ming Xu
Adobe PDF(5951Kb)  |  收藏  |  浏览/下载：54/35  |  提交时间：2015/12/01
Theoretical study of temperature dependence and Rayleigh scattering properties of chloride hydration clusters 期刊论文
Physical Chemistry Chemical Physics, 2014, 卷号: 16, 期号: 36, 页码: 19241-19249
作者:  Shuai Jiang;  Teng Huang;  Yu-Zhou Lv;  Wei Huang;  Yi-Rong Liu;  Kang-Ming Xu;  Yang Zhang
Adobe PDF(2779Kb)  |  收藏  |  浏览/下载：66/41  |  提交时间：2015/12/01