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Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO
x
S
4-
x
2-
Species in the Aqueous Phase by the ONIOM Method
期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/01/08
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
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
作者:
He YY(何雨旸)
;
Gao,Caihong
;
Wei,Wei
;
Liu,Yun
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
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
作者:
He, Yuyang
;
Li, Long
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  |  
浏览/下载:22/0
  |  
提交时间:2022/07/18
Reduced partition function ratio
Nitrate reduction
Water-droplet model
Solvent effect
Inverse kinetic isotope effect
Reduced Sloshing Effect in Steel Tanks
期刊论文
International Journal of Steel Structures, 2022
作者:
Cheng, Xuansheng
;
Chen, Jia
;
Luo, Bingbing
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/09/22
Deformation
Liquid sloshing
Optimal systems
Seismic design
Tensile strength
Water waves
Layout schemes
Liquid solid coupling
Liquid storage
Optimal design
Rectangular steel tank
Reducing sloshing method
Sloshing effects
Water purification
Water purification structure
Wave heights
Prediction of the Liquid-Liquid Extraction Properties of Imidazolium-Based Ionic Liquids for the Extraction of Aromatics from Aliphatics
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 卷号: 61, 期号: 7, 页码: 3376-3385
作者:
Yu, Tianhao
;
Olsson, Emilia
;
Lian, Guoping
;
Liu, Lei
;
Huo, Feng
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  |  
浏览/下载:26/0
  |  
提交时间:2021/08/31
Adsorption of toluene on various natural soils: Influences of soil properties, mechanisms, and model
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 740, 页码: 10
作者:
Li, Yuan
;
Wei, Mingli
;
Liu, Lei
;
Xue, Qiang
;
Yu, Bowei
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  |  
浏览/下载:23/0
  |  
提交时间:2021/05/25
Toluene adsorption
Soil properties
Thermodynamics
Mechanism
Model
Spatial-Temporal Dependency Modeling and Network Hub Detection for Functional MRI Analysis via Convolutional-Recurrent Network
期刊论文
IEEE TRANSACTIONS ON BIOMEDICAL ENGINEERING, 2020, 卷号: 67, 期号: 8, 页码: 2241-2252
作者:
Wang, Mingliang
;
Lian, Chunfeng
;
Yao, Dongren
;
Zhang, Daoqiang
;
Liu, Mingxia
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  |  
浏览/下载:22/0
  |  
提交时间:2020/08/24
Spatial-temporal dependency
neural network
Alzheimer's disease
hub detection
resting-state functional MRI
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
作者:
He YY(何雨旸)
;
Bao HM
;
Liu Y
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2020/03/11
Reduced partition function ratio
Position-specific isotope composition
KIE
Solvent effect
CoA
BCPL: Convolutional Prototype Learning for Brain Networks for Depression Diagnosis
会议论文
Online, 2020/06/23
作者:
Zhi DM(支冬梅)
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/06/28
Structural defence is coupled with the leaf economic spectrum across saplings of spiny species
期刊论文
OIKOS, 2020, 卷号: 129, 期号: 5, 页码: 740-752
作者:
Armani, Mohammed
;
Goodale, Uromi M.
;
Charles-Dominique, Tristan
;
Barton, Kasey E.
;
Yao, Xin
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  |  
浏览/下载:22/0
  |  
提交时间:2020/06/05
RELATIVE GROWTH-RATE
PLANT SPINESCENCE
FUNCTIONAL TRAITS
SAVANNA TREES
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PATTERNS
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