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Estimates of chlorine isotope fractionation factors using density functional theory: Applications to ore-forming systems
期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2024, 卷号: 367, 页码: 1-15
作者:
Zhang, Miao-Miao
;
Wei, Hai-Zhen
;
Lu, Jian-Jun
;
Williams-Jones, A. E.
;
Eastoe, C. J.
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/05/15
Chlorine isotopes
Density functional theory
Metal-chloride complexation
Evaporites
Phase separation
Metallogenic processes
Stable carbon isotopes and stomatal frequency of Middle Jurassic ginkgophyte fossils from the Turpan basin, northwestern China: Implications for reconstructing paleo-CO2 changes
期刊论文
JOURNAL OF ASIAN EARTH SCIENCES, 2024, 卷号: 259, 页码: 9
作者:
Xiao, Liang
;
Liang, Jia-qi
;
Guo, Li-yan
;
Ji, De-shuang
;
Yuan, Man
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  |  
浏览/下载:2/0
  |  
提交时间:2024/03/14
Middle Jurassic
Ginkgophyte
Sandaoling Coal Mine
Stable carbon isotope
Paleo -CO 2 concentration
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
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  |  
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
In situ Raman spectroscopic measurement of the 13C/12C ratio in CO2: Experimental calibrations on the effects of fluid pressure, temperature and composition
期刊论文
Chemical Geology, 2023, 卷号: 615, 期号: 2023, 页码: 121201
作者:
Wenwen Lu
;
Xiaolin Wang
;
Qian Wan
;
Wenxuan Hu
;
I-Ming Chou
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/01/05
Raman spectroscopy
13C
12C ratio
CO2
Experimental calibration
T-P-x influences
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
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  |  
浏览/下载:13/0
  |  
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
A novel ion-pair strategy for efficient separation of lithium isotopes using crown ethers
期刊论文
SEPARATION AND PURIFICATION TECHNOLOGY, 2021, 卷号: 274, 页码: 12
作者:
Cui, Li
;
Li, Shasha
;
Kang, Jin
;
Yin, Caixia
;
Guo, Yanxia
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  |  
浏览/下载:16/0
  |  
提交时间:2021/08/31
Lithium Isotopes
Crown Ethers
Ion Pair
Urey Model
Dft Calculation
Iron Isotope Compositions of Coexisting Sulfide and Silicate Minerals in Sudbury-Type Ores from the Jinchuan Ni-Cu Sulfide Deposit: A Perspective on Possible Core-Mantle Iron Isotope Fractionation
期刊论文
MINERALS, 2021, 卷号: 11, 期号: 5, 页码: 30
作者:
Wang, Peiyao
;
Niu, Yaoling
;
Sun, Pu
;
Wang, Xiaohong
;
Guo, Pengyuan
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2021/12/07
equilibrium iron isotope fractionation
Jinchuan magmatic sulfide deposit
net-textured sulfide ores
pyrrhotite
chalcopyrite
pentlandite
olivine and pyroxenes
core-mantle Fe isotope fractionation
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
作者:
Li, Long
;
He YY(何雨旸)
;
Zhang, Zhe
;
Liu, Yun
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/03/30
Nitrogen isotope fractionation
Ammonium
Metal-ammine complex
Ammonia degassing
Hydrothermal fluid
Long-term fertilisation reveals close associations between soil organic carbon composition and microbial traits at aggregate scales
期刊论文
AGRICULTURE ECOSYSTEMS & ENVIRONMENT, 2021, 卷号: 306, 页码: 11
作者:
Duan, Yan
;
Chen, Lin
;
Zhang, Jiabao
;
Li, Daming
;
Han, Xiaori
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  |  
浏览/下载:44/0
  |  
提交时间:2021/03/01
Fertilisation
Aggregate
Soil organic carbon
Microbial community
Cellulose-degrading genes
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