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Microscopic structure and dynamics of air/water interface by computer simulations-comparison with sum-frequency generation experiments 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 12, 页码: 5388-5393
Authors:  Wang, YT;  Hodas, NO;  Jung, YS;  Marcus, RA;  Hodas, NO (reprint author), CALTECH, Dept Chem, Pasadena, CA 91125 USA.
Adobe PDF(1650Kb)  |  Favorite  |  View/Download:294/33  |  Submit date:2013/05/17
Liquid-vapor Interface  Molecular-dynamics  Vibrational Spectroscopy  Water-surface  Theoretical-analysis  Aqueous Interfaces  Hydrogen-bonds  Orientation  Potentials  Reactivity  
Characterization of Phase Transition in Heisenberg Fluids from Density Functional Theory 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2009, 卷号: 51, 期号: 2, 页码: 287-292
Authors:  Li Liang-Sheng;  Li Li;  Chen Xiao-Song;  Li, LS , Chinese Acad Sci, Inst Theoret Phys, POB 2735, Beijing 100190, Peoples R China
Adobe PDF(170Kb)  |  Favorite  |  View/Download:119/22  |  Submit date:2012/08/02
Order-disorder Transition  Liquid-vapor Interface  Monte-carlo-simulation  Neutral Hard-spheres  Dipolar Fluids  Model  Instability  Equation  Diagram