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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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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
Authors:  Yuyang He;  Yining Zhang;  Siting Zhang;  Yun Liu
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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
Authors:  Long Li;  Yuyang He;  Zhe Zhang;  Yun Liu
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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
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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
Authors:  Long Li;  Yuyang He;  Zhe Zhang;  Yun Liu
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How to produce isotope anomalies in mantle by using extremely small isotope fractionations: A process-driven amplification effect? 期刊论文
Geochimica et Cosmochimica Acta, 2020, 卷号: 291, 页码: 19-49
Authors:  Yining Zhang;Yun Liu
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Isotope Anomalies  Amplification Effect  Multi-stage Melting And Crystallization  Monte Carlo Simulation  Ab-initio Calculations  Nfse  Mass-independent Isotope Fractionations  
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
Authors:  Yuyang He;  Huiming Bao;  Yun Liu
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Equilibrium Mg isotope fractionation among aqueous Mg2+, carbonates, brucite and lizardite: Insights from first-principles molecular dynamics simulations 期刊论文
Geochimica et Cosmochimica Acta, 2019, 卷号: 250, 页码: 117-129
Authors:  Wenzhong Wang;  Chen Zhou;  Yun Liu;  Zhongqing Wu;  Fang Huang
Adobe PDF(2233Kb)  |  Favorite  |  View/Download：167/0  |  Submit date：2020/12/04
Mg Isotopes  Equilibrium Fractionation  Density Functional Theory  First-principles Molecular Dynamics Simulations  Aqueous Mg2++  Concentration Effect  Carbonates  Brucite  
Equilibrium Mg isotope fractionation among aqueous Mg2+, carbonates, brucite and lizardite: Insights from first-principles molecular dynamics simulations 期刊论文
Geochimica et Cosmochimica Acta, 2019, 卷号: 250, 页码: 117-129
Authors:  Wenzhong Wang;  Chen Zhou;  Yun Liu;  Zhongqing Wu;  Fang Huang
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Mg Isotopes  Equilibrium Fractionation  Density Functional Theory  First-principles Molecular Dynamics Simulations  Aqueous mg2+concentration Effect  Carbonates  Brucite  
Theoretical calibration of the triple oxygen isotope thermometer 期刊论文
Geochimica et Cosmochimica Acta, 2019, 卷号: 235, 页码: 237-245
Authors:  Justin Hayles;  Caihong Gao;  Xiaobin Cao;  Yun Liu;  Huiming Bao
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Mineral-water Equilibrium  Oxygen Isotope Equilibrium  Geothermometer  Triple-oxygen  D17o