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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, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun
Adobe PDF(3228Kb)  |  收藏  |  浏览/下载：48/0  |  提交时间：2024/01/08
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
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
作者:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
Adobe PDF(3228Kb)  |  收藏  |  浏览/下载：412/274  |  提交时间：2023/02/03
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
Organic Matter Enrichment of Black Shale at the Turn of Ordovician-Silurian in the Paleosedimentary Center in Southern Sichuan Basin, Upper Yangtze Area 期刊论文
Lithosphere, 2022, 卷号: 2022, 期号: Special 12, 页码: 1-34
作者:  Cui Y;  Li XZ;  Han LL;  Guo W;  Lin W;  Chang R;  Shen WJ（沈伟军）;  Huang YZ;  Qian C
Adobe PDF(5645Kb)  |  收藏  |  浏览/下载：188/105  |  提交时间：2022/12/21