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Knowledge Management System of Institue of Mechanics, CAS
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何雨旸 [3]
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Date Issued:2022
Community:高温气体动力学国家重点实验室
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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
Adobe PDF(3228Kb)
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Submit date:2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
煤和生物质中碱金属赋存及释放特性的光学诊断与模拟研究
学位论文
博士论文,北京: 中国科学院大学, 2022
Authors:
孙岑
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Submit date:2023/02/14
碱金属
可调谐半导体激光检测
赋存形态
异相释放
分子模拟
高碱煤热利用过程中碱金属释放特性研究进展
期刊论文
华中科技大学学报(自然科学版), 2022, 页码: 13
Authors:
李腾
;
赵京
;
魏小林
Adobe PDF(1446Kb)
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Submit date:2022/10/17
高碱煤
碱金属
释放特性
NO_(x)
基元反应
竞争关系
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)
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Submit date:2022/07/18
LIBS
XAFS
Mapping
Water
soil prediction
Molecular machine learning
Reactive-transport modeling
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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Submit date:2022/07/18
Reduced partition function ratio
Nitrate reduction
Water-droplet model
Solvent effect
Inverse kinetic isotope effect