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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, 2022, 页码: 14
Authors:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
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paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
Probing multiscale dissolution dynamics in natural rocks through microfluidics and compositional analysis 期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2022, 卷号: 119, 期号: 32, 页码: 9
Authors:  Ling BW(凌博闻);  Sodwatana, Mo;  Kohli, Arjun;  Ross, Cynthia M.;  Jew, Adam;  Kovscek, Anthony R.;  Battiato, Ilenia
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dissolution  microfluidics  geochemistry  mineralogy  
Numerical Study of Mineral Nucleation and Growth on a Substrate 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 11
Authors:  Yang FC(杨丰畅);  Yuan, Ke;  Stack, Andrew G.;  Starchenko, Vitalii
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crystal nucleation  crystal growth  mineral precipitation  pore-scale modeling  reactive transport modeling  
A review of machine learning in geochemistry and cosmochemistry: Method improvements and applications 期刊论文
APPLIED GEOCHEMISTRY, 2022, 卷号: 140, 页码: 13
Authors:  He YY(何雨旸);  Zhou, You;  Wen, Tao;  Zhang, Shuang;  Huang, Fang;  Zou, Xinyu;  Ma, Xiaogang;  Zhu, Yueqin
Adobe PDF(1705Kb)  |  Favorite  |  View/Download：285/114  |  Submit date：2022/07/18
LIBS  XAFS  Mapping  Water  soil prediction  Molecular machine learning  Reactive-transport modeling  
Analysis of the Coal Fluidization Mining Process with the Continuous-Discontinuous Coupled Particle-Block Method 期刊论文
GEOFLUIDS, 2022, 卷号: 2022, 页码: 11
Authors:  Li J;  Feng C(冯春);  Zhu XG(朱心广);  Zhang YM
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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  
Defining kerogen maturity from orbital hybridization by machine learning 期刊论文
FUEL, 2022, 卷号: 310, 页码: 10
Authors:  Ma J(马俊);  Kang DL(康东亮);  Wang XH(王晓荷);  Zhao YP(赵亚溥)
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Kerogen maturity  Orbital hybridization  Machine learning  Quantum chemistry  
A Tensorial Archie's Law for Water Saturation Evaluation in Anisotropic Model 期刊论文
IEEE GEOSCIENCE AND REMOTE SENSING LETTERS, 2022, 卷号: 19, 页码: 5
Authors:  Guo, Chen;  Fan, Zhenzhen;  Ling, Bowen;  Yang, Zhifang
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Conductivity  Tensors  Mathematical models  Rocks  Numerical models  Computational modeling  Anisotropic magnetoresistance  Anisotropy  Archie's law  resistivity  tensorial  water saturation  
Characteristics and Dominant Factors for Natural Fractures in Deep Shale Gas Reservoirs: A Case Study of the Wufeng-Longmaxi Formations in Luzhou Block, Southern China 期刊论文
LITHOSPHERE, 2022, 卷号: 2022, 期号: 1, 页码: 17
Authors:  Han, Lingling;  Li, Xizhe;  Guo, Wei;  Ju, Wei;  Cui, Yue;  Liu, Zhaoyi;  Qian, Chao;  Shen WJ(沈伟军)
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