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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: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
Two independent allohexaploidizations and genomic fractionation in Solanales
期刊论文
FRONTIERS IN PLANT SCIENCE, 2022, 卷号: 13
作者:
Zhang, Yan
;
Zhang, Lan
;
Xiao, Qimeng
;
Wu, Chunyang
;
Zhang, Jiaqi
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  |  
浏览/下载:0/0
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提交时间:2024/03/07
Solanaceae
Convolvulaceae
polyploidization
genomic fractionation
chromosomal structural variation
BMY genes
keywordbelowspace-30pt
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:15/0
  |  
提交时间:2021/08/31
Lithium Isotopes
Crown Ethers
Ion Pair
Urey Model
Dft Calculation
In situ synthesis of micro-plastics embedded sewage-sludge co-pyrolyzed biochar: Implications for the remediation of Cr and Pb availability and enzymatic activities from the contaminated soil
期刊论文
JOURNAL OF CLEANER PRODUCTION, 2021, 卷号: 302, 页码: 15
作者:
Munir, Mehr Ahmed Mujtaba
;
Yousaf, Balal
;
Ali, Muhammad Ubaid
;
Dan, Chen
;
Abbas, Qumber
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浏览/下载:85/0
  |  
提交时间:2021/12/06
Modified-biochar
Microplastic
Heavy metals
Spectroscopic investigation
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
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  |  
浏览/下载:23/0
  |  
提交时间:2021/03/30
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
作者:
He YY(何雨旸)
;
Zhang, Yining
;
Zhang, Siting
;
Liu, Yun
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  |  
浏览/下载:31/0
  |  
提交时间:2021/03/03
Transition state theory
Density functional theory
Cutoff model
Solvent effect
Molybdenum enzyme
Circular RNA hsa_circ_0000700 promotes cell proliferation and migration in Esophageal Squamous Cell Carcinoma by sponging miR-1229
期刊论文
JOURNAL OF CANCER, 2021, 卷号: 12
作者:
Fang, Jun
;
Ji, Wen Hao
;
Wang, Fang Zheng
;
Xie, Tie Ming
;
Wang, Lei
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  |  
浏览/下载:33/0
  |  
提交时间:2021/04/26
esophageal squamous cell cancer
hsa_circ_0000700
hsa_miR-1229
cell proliferation
cell migration
Mapping soil nitrogen fractionation
期刊论文
RHIZOSPHERE, 2020, 卷号: 16, 页码: 6
作者:
Adl, Sina
;
Liu, Min
;
Xu, Xingliang
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  |  
浏览/下载:14/0
  |  
提交时间:2021/03/15
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