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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 Authors: Yuyang He; Caihong Gao; Wei Wei; Yun Liu Adobe PDF(3228Kb)  |  Favorite  |  View/Download:173/0  |  Submit date:2023/05/17 |
| Path-integral molecular dynamics predictions of equilibrium H and O isotope fractionations between brucite and water 期刊论文 Geochimica et Cosmochimica Acta, 2023, 卷号: 346, 页码: 207-222 Authors: Caihong Gao; Yining Zhang; Qi Liu; Yuhong Yang; Yun Liu Adobe PDF(2661Kb)  |  Favorite  |  View/Download:10/0  |  Submit date:2024/06/11 |
| Boron isotope fractionation between B(OH)3 and B(OH)4- in aqueous solution: A theoretical investigation beyond the harmonic and Born-Oppenheimer approximations 期刊论文 Chemical Geology, 2023, 卷号: 627, 页码: 121455 Authors: Xinya Yin; Feixiang Liu; Qi Liu; Yining Zhang; Caihong Gao; Siting Zhang; Moira K. Ridley; Yun Liu Adobe PDF(2121Kb)  |  Favorite  |  View/Download:41/0  |  Submit date:2024/05/17 |
| First-principles calculations of equilibrium bromine isotope fractionations 期刊论文 Geochimica et Cosmochimica Acta, 2021, 卷号: 297, 页码: 65-81 Authors: Caihong Gao; Yun Liu Adobe PDF(1923Kb)  |  Favorite  |  View/Download:122/0  |  Submit date:2022/02/28 |