Molecular dynamics simulation for O2 aqueous solution

被引:0
|
作者
顾健德
田安民
鄢国森
机构
[1] Department of Chemistry
[2] China
[3] Chengdu 610064
[4] Sichuan University
基金
中国国家自然科学基金;
关键词
MD simulation; O2-H2O analytical potential; MCYL potential; dilute solution;
D O I
暂无
中图分类号
O611 [化学元素与无机化合物];
学科分类号
摘要
The solutions of small apolar solutes in water are important for investigating the chemical behaviour of the apolar molecules in solution. They also form simple and convenient models for understanding hydrophobic effects in more complicated systems involving proteins, micelles and membranes.
引用
收藏
页码:1972 / 1977
页数:6
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