Open AccessCar-Parrinello Molecular Dynamics Simulations of Microstructure Properties of Liquid Water, Methanol and Ethanol
Author(s) -
曾勇平,
朱晓敏,
杨正华
Publication year - 2011
Publication title -
wuli huaxue xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.396
H-Index - 37
ISSN - 1000-6818
DOI - 10.3866/pku.whxb20112779
Subject(s) - molecular dynamics , microstructure , ethanol , methanol , materials science , chemical physics , chemical engineering , chemistry , computational chemistry , thermodynamics , organic chemistry , composite material , physics , engineering