中国开放科研知识云: 检索

Self-assembled monolayer of o-aminothiophenol on Fe(110) surface: a combined study by electrochemistry, in situ STM, and molecular simulations 期刊论文
http://dx.doi.org/10.1016/j.susc.2004.09.042, 2004
Kong, DS; Yuan, SL; Sun, YX; Yu, ZY; 孔德生

收藏 | 浏览/下载：5/0 | 提交时间：2015/07/22

CONSISTENT FORCE-FIELD ACID-SOLUTION COMPUTER-SIMULATIONS DYNAMICS SIMULATION THIOL MONOLAYERS ENERGY FUNCTIONS AMORPHOUS ALLOY HYDROGEN-BOND SCHIFF-BASE MOLAR HCL

Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2004, 卷号: 12, 期号: 23, 页码: 6193-6208
作者: Xu, Y; Liu, H; Niu, CY; Luo, C; Luo, XM

收藏 | 浏览/下载：16/0 | 提交时间：2019/01/08

CCR5 homology modeling docking 3D QSAR CoMFA CoMSIA

Molecular Dynamics Simulation of Barnacle Cement 会议论文
Symposium on Micomechanics of Advanced Materials held in Honour of James C M Lis 80th Birthday held at the TMS 2004 Annual Meeting, NOV, 2004 San Francisco, CA
作者: Yin J(尹俊); Zhao YP(赵亚溥); Zhu RC(朱如曾)

收藏 | 浏览/下载：1131/47 | 提交时间：2007/12/18

Pressure dependence of self-diffusion in NaAlSi3O8 melt; A molecular dynamics study. 期刊论文
ACTA PETROLOGICA SINICA, 2004, 卷号: 20, 期号: 6, 页码: 1461-1468
作者: Zhao, YJ; Zhang, YG; Guo, GJ; Refson, K

收藏 | 浏览/下载：10/0 | 提交时间：2018/09/26

Naalsi3o8 Melt Molecular Dynamics Self-diffusion Pressure

Evolution spectrum of C-60 isomers in buffer gas 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2004, 卷号: 121, 页码: 7701-7707
作者: Li, P; Ning, XJ

收藏 | 浏览/下载：9/0 | 提交时间：2018/05/31

Size effects on the melting of nickel nanowires: a molecular dynamics study 期刊论文
http://dx.doi.org/10.1016/j.physe.2004.06.048, 2004
Wen, Y. H.; Zhu, Z. Z.; Zhu, R. Z.; Shao, G. F.; 文玉华

收藏 | 浏览/下载：2/0 | 提交时间：2013/12/12

GOLD NANOWIRES AMORPHIZATION TEMPERATURE SIMULATION STRAIN WIRES

Size effects on the melting of nickel nanowires: a molecular dynamics study 期刊论文
http://dx.doi.org/10.1016/j.physe.2004.06.048, 2004
Wen, Y. H.; Zhu, Z. Z.; Zhu, R. Z.; Shao, G. F.; 朱梓忠

收藏 | 浏览/下载：5/0 | 提交时间：2013/12/12

GOLD NANOWIRES AMORPHIZATION TEMPERATURE SIMULATION STRAIN WIRES

Steered molecular dynamics simulations of protein-ligand interactions 期刊论文
SCIENCE IN CHINA SERIES B-CHEMISTRY, 2004, 卷号: 47, 期号: 5, 页码: 355-366
作者: Xu, YC; Shen, JH; Luo, XM; Shen, X; Chen, KX

收藏 | 浏览/下载：24/0 | 提交时间：2019/01/08

molecular dynamics simulation steered molecular dynamics simulation atomic force microscope avidin biotin huperzine A acetylcholinesterase HIV-1 reverse transcriptas non-nucleoside RT inhibitor

Molecular dynamics study of hydrogen adsorption in Y-junction carbon nanotubes 期刊论文
journal of molecular structure-theochem, 2004, 卷号: 684, 期号: 1-3, 页码: 75-80
作者: Wu, HL; Qiu, HS; Hao, C; Tang, ZN; Han, K

收藏 | 浏览/下载：15/0 | 提交时间：2015/11/10

Y-junction carbon nanotube H-2 storage molecular dynamics simulations molecular mechanics calculations

Surface-induced melting of metal nanoclusters 期刊论文
2004
Yang, Q. W.; Zhu, R. Z.; Wei, J. A.; Wen, Y. H.; 文玉华

收藏 | 浏览/下载：1/0 | 提交时间：2013/12/12

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