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	Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO_xS_4-x^2- Species in the Aqueous Phase by the ONIOM Method 期刊论文 OAI收割 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 \| 收藏 \| 浏览/下载：15/0 \| 提交时间：2024/01/09 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 OAI收割 ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14 作者: He YY(何雨旸); Gao,Caihong; Wei,Wei; Liu,Yun \| 收藏 \| 浏览/下载：25/0 \| 提交时间：2023/02/03 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 OAI收割 ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14 作者: He, Yuyang; Gao, Caihong; Wei, Wei; Liu, Yun \| 收藏 \| 浏览/下载：25/0 \| 提交时间：2023/03/31 paleoredox proxy ab initio molecular dynamics implicit solvent model dispersion correction water-droplet periodical boundary condition
	Modeling the temperature-dependent peptide vibrational spectra based on implicit-solvent model and enhance sampling technique 期刊论文 OAI收割 CHINESE PHYSICS B, 2016, 卷号: 25, 期号: 1 作者: Wu, Tianmin; Wang, Tianjun; Chen, Xian; Fang, Bin; Zhang, Ruiting \| 收藏 \| 浏览/下载：46/0 \| 提交时间：2019/06/20 Peptide Two-dimensional Infrared Spectra (2dir) Folding Landscape Implicit Solvent Model