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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
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/04/07
Eumelanin
Enzyme -assisted optimization
Squid ink
Tetramer
Antioxidant activity
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:10/0
  |  
提交时间:2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Comparison and theoretical analysis of the photocatalytic performance of Ni2+-Fe3+-CO32−-LDHs and Ni2+-Al3+-CO32−-LDHs
期刊论文
Journal of Molecular Structure, 2022, 卷号: 1262
作者:
Song, Xiaoli
;
Pang, Yaming
;
Yuan, Yuanyuan
;
Fu, Yuxiu
;
Gao, Liguo
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  |  
浏览/下载:18/0
  |  
提交时间:2022/04/21
Calculations
Citrus fruits
Energy gap
Nickel
Photocatalytic activity
Precipitation (chemical)
Wastewater treatment
D orbitals
DFT
Dyes wastewaters
Fe 3+
Homogeneous Precipitation
Hydrotalcites
Low band gap
Ni2+-al3+-CO32−-LDH
Ni2+-fe3+-CO32−-LDH
Single electron
Reconstruction and electronic properties of beta-Li3PS4|Li2S interface
期刊论文
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2022, 卷号: 55, 期号: 10
作者:
Wei, Chengdong
;
Xue, Hongtao
;
Li, Zhou
;
Zhao, Fenning
;
Tang, Fuling
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2022/03/01
first-principles calculations
LPS
Li2S interface
interfacial properties
work-function
space charge layer
Energy-Level Alignment and Orbital-Selective Femtosecond Charge Transfer Dynamics of Redox-Active Molecules on Au, Ag, and Pt Metal Surfaces
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125
作者:
Zhang, Ziyu
;
Cao, Liang
;
Chen, Xue
;
Thompson, Damien
;
Qi, Dongchen
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/11/01
The Sternheimer approach to all-electron real-space density-functional perturbation theory with atomic basis set
期刊论文
AIP ADVANCES, 2021, 卷号: 11, 期号: 1, 页码: 10
作者:
Shang, Honghui
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  |  
浏览/下载:20/0
  |  
提交时间:2021/12/01
Optoelectronic properties of diathiafulvalene-functionalized diketopyrrolopyrrole–fullerene molecular dyad
期刊论文
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2020, 卷号: 242
作者:
X.-J., Lu
;
C.-R., Zhang
;
J.-J., Gong
;
W., Wang
;
Z.-J., Liu
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2020/11/14
Charge transfer
Electronic structure
Excited states
Fullerenes
Interface states
Light absorption
Molecular orbitals
Organic solar cells
Diketopyrrolopyrroles
Effective electrons
Energy differences
Excitation properties
Interface disorders
Optoelectronic properties
Quantum chemistry calculations
Quasi-degeneration
Inhomogeneities of charge distribution in porous graphitic carbon nitride g-CxNy nanosheets
期刊论文
European Physical Journal D, 2020, 卷号: 74, 期号: 12
作者:
Liang, Zefen
;
He, Tianxiang
;
Xue, Hongtao
;
Tang, Fuling
;
Fan, Ding
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2022/02/18
Charge distribution
Graphitic Carbon Nitride
Molecular orbitals
Orbital calculations
Porous materials
Theoretical search for high-performance thermoelectric donor-acceptor copolymers: the role of super-exchange couplings
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8
作者:
Yong, Xue
;
Wu, Gang
;
Shi, Wen
;
Wong, Zicong Marvin
;
Deng, Tianqi
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2020/12/28
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