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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：49/0  |  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：414/275  |  提交时间：2023/02/03
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
A review of machine learning in geochemistry and cosmochemistry: Method improvements and applications 期刊论文
APPLIED GEOCHEMISTRY, 2022, 卷号: 140, 页码: 13
作者:  He YY(何雨旸);  Zhou, You;  Wen, Tao;  Zhang, Shuang;  Huang, Fang;  Zou, Xinyu;  Ma, Xiaogang;  Zhu, Yueqin
Adobe PDF(1705Kb)  |  收藏  |  浏览/下载：257/108  |  提交时间：2022/07/18
LIBS  XAFS  Mapping  Water  soil prediction  Molecular machine learning  Reactive-transport modeling  
A Microstructured Graphene/Poly(N-isopropylacrylamide) Membrane for Intelligent Solar Water Evaporation 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 期号: 50, 页码: 16343-16347
作者:  Zhang PP;  Liu F(刘峰);  Liao QH;  Yao HZ;  Geng HY;  Cheng HH;  Li C;  Qu LT
浏览  |  Adobe PDF(1326Kb)  |  收藏  |  浏览/下载：548/283  |  提交时间：2019/05/30
irradiation  membranes  polymers  self-adaptive materials  water evaporation