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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, 页码: 142–155
作者:  Yuyang He;  Caihong Gao;  Wei Wei;  Yun Liu
Adobe PDF(3228Kb)  |  收藏  |  浏览/下载：139/0  |  提交时间：2023/05/17
Predicting nitrogen and oxygen kinetic isotope effects of nitrate reduction by periplasmic dissimilatory nitrate reductase 期刊论文
Geochimica et Cosmochimica Acta, 2021, 卷号: 293, 页码: 224-239
作者:  Yuyang He;  Yining Zhang;  Siting Zhang;  Yun Liu
Adobe PDF(1099Kb)  |  收藏  |  浏览/下载：111/0  |  提交时间：2022/03/09
Planetary Environmental and Astrobiological Research Laboratory, School of Atmospheric Sciences, Sun Yat-sen University, Zhuhai, China, 2Center for Excellence in Comparative Planetology, Chinese Acade 期刊论文
Geochimica et Cosmochimica Acta, 2021, 卷号: 295, 页码: 80-97
作者:  Long Li;  Yuyang He;  Zhe Zhang;  Yun Liu
Adobe PDF(870Kb)  |  收藏  |  浏览/下载：94/0  |  提交时间：2022/03/02
Nitrogen isotope fractionations among gaseous and aqueous NH4+, NH3, N2, and metal-ammine complexes: Theoretical calculations and applications 期刊论文
Geochimica et Cosmochimica Acta, 2021, 卷号: 295, 页码: 80-97
作者:  Long Li;  Yuyang He;  Zhe Zhang;  Yun Liu
Adobe PDF(870Kb)  |  收藏  |  浏览/下载：37/0  |  提交时间：2023/12/06
Predicting equilibrium intramolecular isotope distribution within a large organic molecule by the cutoff calculation 期刊论文
Geochimica et Cosmochimica Acta, 2020, 卷号: 269, 页码: 292-302
作者:  Yuyang He;  Huiming Bao;  Yun Liu
Adobe PDF(2359Kb)  |  收藏  |  浏览/下载：185/0  |  提交时间：2021/10/29
Theoretical calculation of equilibrium Mg isotope fractionations between minerals and aqueous solutions 期刊论文
Chemical Geology, 2018, 卷号: 488, 页码: 62-75
作者:  Caihong Gao;  Xiaobin Cao;  Qi Liu;  Yuhong Yang;  Siting Zhang;  Yuyang He;  Mao Tang;  Yun Liu
Adobe PDF(2618Kb)  |  收藏  |  浏览/下载：220/0  |  提交时间：2019/05/17
Mg Isotope Fractionation  solid And Solution  quantum Chemistry Method  vvcm