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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:489/296  |  Submit date:2023/02/03
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
Direct numerical simulation of compressible turbulence accelerated by graphics processing unit: An open-source high accuracy accelerated computational fluid dynamic software 期刊论文
PHYSICS OF FLUIDS, 2022, 卷号: 34, 期号: 12, 页码: 20
Authors:  Dang GL(党冠麟);  Liu, Shiwei;  Guo TB(郭同彪);  Duan JY(段俊亦);  Li XL(李新亮)
Adobe PDF(7862Kb)  |  Favorite  |  View/Download:193/40  |  Submit date:2023/02/07