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Quasi-classical trajectory study of the H+HLi reaction on a new ab initio potential energy surface for the ground electronic state 会议论文
烟台, 2015-8-10
作者:  Qi Li[1];  Shuangjiang Lv[1];  Tiantian Wang[1];  Xinguo Liu[1];  Xiaohu He[1]
收藏  |  浏览/下载:6/0  |  提交时间:2020/01/07
MAMBER: Accelerating explicit solvent molecular dynamic with Intel Xeon Phi many-integrated core coprocessors 会议论文
作者:  Liu, Xin;  Peng, Shaoliang;  Yang, Canqun;  Wu, Chengkun;  Wang, Haiqiang
收藏  |  浏览/下载:12/0  |  提交时间:2019/01/08
Collision of H+ + CH4 at 30 eV: A simulation study 会议论文
作者:  Gao, Cong-Zhang;  Wang, Jing;  Zhang, Feng-Shou
收藏  |  浏览/下载:12/0  |  提交时间:2018/08/20
Molecular Motion in Isotropic Turbulence 会议论文
27th International Symposium on Rarefied Gas Dynamics, Pacific Grove, CA, JUL 10-15, 2010
作者:  Fan J(樊菁);  Jiang JZ(蒋建政);  Fei F(费飞)
收藏  |  浏览/下载:18/0  |  提交时间:2012/04/01
Investigating the molecular mechanisms of protein folding kinetics using a tightly joined experimental and theoretical approach 会议论文
china-israel workshop on: dynamics and control of quntum systems, 以色列, 2010-3-23
庄巍
收藏  |  浏览/下载:9/0  |  提交时间:2011/07/11
Dominated non-statistical behaviors in O+O2 Exchange Reactive Scattering: 会议论文
xxiii international symposium on molecular beams, 中国, 2009-6-1
孙志刚; 刘兰; 张东辉
收藏  |  浏览/下载:10/0  |  提交时间:2011/07/11
A Breakdown Criterion of Free Molecular Flows and an Optimum Analysis of EBPVD 会议论文
26th International Symposium on Rarefied Gas Dynmaics (RGD26), Kyoto, JAPAN, JUN 20-JUL 25, 2008
作者:  Li SH(李帅辉);  Fan J(樊菁);  Shu YH(舒勇华);  Li SH
收藏  |  浏览/下载:1122/85  |  提交时间:2009/07/23
The Mixed Quantum-Classical Molecular Dynamics Study of Vibrational Frequency Shift of I(2) in Argon Solvent Confined by SWNT 会议论文
Conference on Theory and Applications of Computational Chemistry, Shanghai, PEOPLES R CHINA, 2009-01-01
作者:  Hu, Fan;  Zheng, Xuefang;  Zhou, Aisong;  Li, Shenmin
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/24
QM/MM and Classical Molecular Dynamics Simulation of Histidine-Tagged Peptide Immobilization on Nickel Surface 会议论文
3rd International Conference on Materials for Advanced Technologies/9th International Conference on Advanced Materials, JUL 03-08, 2005 Singapore, SINGAPORE
作者:  Yang ZY(杨振宇);  Zhao YP(赵亚溥)
收藏  |  浏览/下载:1523/50  |  提交时间:2007/12/18


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