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Density functional theory calculations of nitrogen and oxygen equilibrium isotope fractionations in NO3--NO2--H2O aqueous system reveal inverse kinetic isotope effects during nitrite oxidation 期刊论文
APPLIED GEOCHEMISTRY, 2022, 卷号: 139, 页码: 11
Authors:  He YY(何雨旸);  Li, Long
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Reduced partition function ratio  Nitrate reduction  Water-droplet model  Solvent effect  Inverse kinetic isotope effect  
Nitrogen isotope fractionations among gaseous and aqueous NH4+ NH3, N-2, 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:  Li, Long;  He YY(何雨旸);  Zhang, Zhe;  Liu, Yun
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Nitrogen isotope fractionation  Ammonium  Metal-ammine complex  Ammonia degassing  Hydrothermal fluid  
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:  He YY(何雨旸);  Zhang, Yining;  Zhang, Siting;  Liu, Yun
Adobe PDF(1099Kb)  |  Favorite  |  View/Download：348/105  |  Submit date：2021/03/03
Transition state theory  Density functional theory  Cutoff model  Solvent effect  Molybdenum enzyme  
Ideas and perspectives: the same carbon behaves like different elements - an insight into position-specific isotope distributions 期刊论文
BIOGEOSCIENCES, 2020, 卷号: 17, 期号: 19, 页码: 4785-4795
Authors:  He YY(何雨旸);  Cao XB;  Bao HM
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Headspace isotope & compositional analysis for unconventional resources: Gas in place, permeability and porosity prediction and completions planning 期刊论文
Geosciences (Switzerland), 2020, 卷号: 10, 期号: 9, 页码: 1-13
Authors:  Wu S;  Tang YC;  Lin M(林缅);  Sneddon A
Adobe PDF(3634Kb)  |  Favorite  |  View/Download：849/508  |  Submit date：2021/06/11
Headspace isotope & composition analysis  Permeability  Pore pressure  Pore thorat  
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:  He YY(何雨旸);  Bao HM;  Liu Y
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Reduced partition function ratio  Position-specific isotope composition  KIE  Solvent effect  CoA  
Short geomagnetic event recorded in chinese loess-soil sequences 会议论文
IUGG 99, Birmingham, UK, 1999
Authors:  Guo B;  Lin M(林缅);  guobin@mail.c-geos.ac.cn
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