空气/水界面及溶液中超氧自由基的从头算分子动力学模拟研究
序号 | 标题 | 类型 | 作者 |
---|---|---|---|
1 | An improved B3LYP method in the calculation of organic thermochemistry and reactivity | 期刊论文 | Lu, Lilin|Hu, Hui|Hou, Hua|Wang, Baoshan| |
2 | Theoretical characterizations of the mechanism for the dimerization of monosilicic acid in basic solution | 期刊论文 | Hu, Hui|Hou, Hua|He, Zhen|Wang, Baoshan| |
3 | Ab initio study of the elusive HO3(X2A) radical and the HO+O2 -> HO3 reaction | 期刊论文 | Yongyan Zhou|Hui Hu|Li Li|Hua Hou|Baoshan Wang| |
4 | Molecular Dynamics Simulations of Ice Growth from Supercooled Water When Both Electric and Magnetic Fields Are Applied. | 期刊论文 | Hui Hu|Hua Hou|Baoshan Wang| |