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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
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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
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Theoretical calculation of position-specific carbon and hydrogen isotope equilibriums in butane isomers 期刊论文
Chemical Geology, 2021, 卷号: 561, 页码: 120031
Authors:  Qi Liu;  Xinya Yin;  Yining Zhang;  Maxime Julien;  Naizhong Zhang;  Alexis Gilbert;  Naohiro Yoshida;  Yun Liu
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Clumped-isotope signatures at equilibrium of CH4, NH3, H2O, H2S and SO2 期刊论文
Geochimica et Cosmochimica Acta, 2016, 卷号: 175, 期号: 2, 页码: 252-270
Authors:  Qi Liu;  Yun Liu
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On the proper use of the Bigeleisen–Mayer equation and corrections to it in the calculation of isotopic fractionation equilibrium constants 期刊论文
Geochimica et Cosmochimica Acta, 2010, 卷号: 74, 期号: 24, 页码: 6965-6983
Authors:  Qi Liu;  John A. Tossell;  Yun Liu
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On the proper use of the Bigeleisen–Mayer equation and corrections to it in the calculation of isotopic fractionation equilibrium constants 期刊论文
Geochimica et Cosmochimica Acta, 2010, 卷号: 74, 期号: 24, 页码: 6965-6983
Authors:  Qi Liu;  John A. Tossell;  Yun Liu
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