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中国科学院力学研究所机构知识库
Knowledge Management System of Institue of Mechanics, CAS
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何雨旸 [1]
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Language：英语
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Community：高温气体动力学国家重点实验室
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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
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Submit date：2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
