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Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
Authors:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
Adobe PDF(3228Kb)  |  Favorite  |  View/Download：441/284  |  Submit date：2023/02/03
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
Spontaneous dewetting of a hydrophobic micro-structured surface 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 29, 页码: 8
Authors:  Li XJ(李兴济);  Li JJ(李建军);  Peng ZL(彭志龙);  Chen SH(陈少华)
View  |  Adobe PDF(12Kb)  |  Favorite  |  View/Download：537/117  |  Submit date：2019/06/10
micro-pillar arrayed surface  dewetting transition  energy difference  critical droplet volume  biomimetic design