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浏览/检索结果:
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Feedstock and pyrolysis temperature influence biochar properties and its interactions with soil substances: Insights from a DFT calculation
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2024, 卷号: 922, 页码: 13
作者:
He, Debo
;
Luo, Yiming
;
Zhu, Bo
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/06/18
Biochar
Pyrolysis temperature
Feedstock
DTF calculation
Soil emission reduction
O modified N-doped carbon nanotubes enhanced 2e-oxygen reduction reaction via antibonding activation for efficient antibactrial in netural media
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2024, 卷号: 484, 页码: 9
作者:
Yan, Kexin
;
Qin, Yingnan
;
Xue, Junjie
;
Wang, Jing
;
Wang, Guoqing
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/06/04
Two-electron oxygen reduction reaction
Hydrogen peroxide
Reactive oxygen species
Antibonding activation
Antibacterial
Eumelanin: A natural antioxidant isolated from squid ink by new enzymatic technique and prediction of its structural tetramer
期刊论文
LWT-FOOD SCIENCE AND TECHNOLOGY, 2023, 卷号: 188, 页码: 13
作者:
Song, Wen
;
Xing, Ronge
;
Yang, Haoyue
;
Gao, Kun
;
Liu, Song
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  |  
浏览/下载:116/0
  |  
提交时间:2024/04/07
Eumelanin
Enzyme -assisted optimization
Squid ink
Tetramer
Antioxidant activity
Near-Neighbor Electron Orbital Coupling Effect of Single-Atomic-Layer Au Cluster Intercalated Bilayer 2H-TaS
2
for Surface Enhanced Raman Scattering Sensing
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, 卷号: 14
作者:
Weng, Shirui
;
Chu, Wenjun
;
Zhu, Huaze
;
Li, Junxiang
;
Dong, Ronglu
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  |  
浏览/下载:9/0
  |  
提交时间:2023/11/10
Analysis of the microscopic mechanism of the stacking stability of h-BN on a metal substrate under external force
期刊论文
Surfaces and Interfaces, 2023, 期号: 39, 页码: 102947
作者:
Yuan Niu
;
Wenhao He
;
Zhibin Lu
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  |  
浏览/下载:0/0
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提交时间:2024/01/02
Phase transition
h-BN/Cu
h-BN/Ni
Adsorption method
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
The orbital effect on the anomalous magnetism and evolution in LaxY1-xVO3 (0 <= x <= 0.2) single crystals
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2023, 卷号: 932
作者:
Wan, Yan
;
Jiao, Jinlong
;
Lin, Gaoting
;
Wu, Yan
;
Wang, Xiaoming
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  |  
浏览/下载:27/0
  |  
提交时间:2022/12/23
Single crystal
Orbital effect
Jahn-Teller distortion
Antiferromagnetic
Diamagnetism
Collapse of the N=28 shell closure in the newly discovered 39Na nucleus and the development of deformed halos towards the neutron dripline
期刊论文
PHYSICAL REVIEW C, 2023, 卷号: 107, 期号: 4, 页码: L041303
作者:
Zhang, K. Y.
;
Papakonstantinou, P.
;
Mun, M. -H.
;
Kim, Y.
;
Yan, H.
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  |  
浏览/下载:7/0
  |  
提交时间:2023/12/07
INTERACTION CROSS-SECTIONS
HARTREE-BOGOLIUBOV THEORY
MAGIC NUMBER
FINITE-RANGE
FIELD-THEORY
DISTRIBUTIONS
ISOTOPES
PROTON
LIMITS
RADII
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
Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations
期刊论文
Computational Materials Science, 2022, 卷号: 214
作者:
Guo, Xin
;
Zhou, Jitian
;
Zhang, Xingxing
;
Yang, Ping
;
Ren, Junqiang
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  |  
浏览/下载:29/0
  |  
提交时间:2022/09/22
Alloying
Atoms
Austenite
Calculations
Chemical bonds
Density functional theory
Electrons
Density diagram
Differential charge
First principle calculations
First principles
Heat-resistant steel
Interface energy
Interface property
Orbital electrons
Orbitals
Segregation
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