化学
氢键
乙二醇
甲醇
氢
分子动力学
液态氢
乙醇
甘油
有机化学
分子
计算化学
作者
J. A. Padró,Leonor Saiz,E. Guàrdia
标识
DOI:10.1016/s0022-2860(97)00038-0
摘要
A series of molecular dynamics simulations has been performed to investigate hydrogen bonding in liquid alcohols. The systems considered have been methanol, ethanol, ethylene glycol and glycerol at 298 K. The hydrogen bonding statistics as well as the mean lifetime of the hydrogen bonds are analyzed. The results are compared with those corresponding to liquid water.
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