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宁波材料技术与工程... [41]
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Biotransformation Mechanism of Pesticides by Cytochrome P450: A DFT Study on Dieldrin
期刊论文
OAI收割
CHEMICAL RESEARCH IN TOXICOLOGY, 2020, 卷号: 33, 期号: 6, 页码: 1442-1448
作者:
Chai, Lihong
;
Ji, Shujing
;
Zhang, Shubin
;
Yu, Haiying
;
Zhao, Meirong
  |  
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2020/08/07
C-H HYDROXYLATION
AB-INITIO
HYDROGEN ABSTRACTION
HUMAN METABOLISM
DRUG-METABOLISM
COMPOUND-I
ENZYMES
POTENTIALS
POPULATION
PREDICTION
Microwave-assisted ammonia modification of activated carbon for effective removal of phenol from wastewater: DFT and experiment study
期刊论文
OAI收割
APPLIED SURFACE SCIENCE, 2020, 卷号: 518
作者:
Liu, Xiaoyang
;
Han, Yingying
;
Cheng, Yuchuan
;
Xu, Gaojie
  |  
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2020/12/16
ADSORPTIVE REMOVAL
FUNCTIONAL-GROUPS
AQUEOUS-SOLUTION
SURFACE
CHLOROPHENOLS
PERFORMANCE
NANOTUBES
MOLECULES
MECHANISM
OXIDATION
Chromium-titanium nitride as an efficient co-catalyst for photocatalytic hydrogen production
期刊论文
OAI收割
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 31, 页码: 15774-15781
作者:
Meng, Xiangjian
;
Qi, Weiliang
;
Kuang, Wandi
;
Adimi, Samira
;
Guo, Haichuan
  |  
收藏
  |  
浏览/下载:56/0
  |  
提交时间:2020/12/16
HIGH QUANTUM EFFICIENCY
EVOLUTION CATALYSTS
NICKEL NITRIDE
PT-PDS/CDS
WATER
CDS
NANOPARTICLES
NANOSHEETS
TIO2
SHELL
Towards continuous ammonia electro-oxidation reaction on Pt catalysts with weakened adsorption of atomic nitrogen
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 卷号: 45, 期号: 41, 页码: 21816-21824
作者:
Wang, Yuanhui
;
Yang, Zehui
;
Yang, Jun
;
Xu, Jingxiang
;
Xie, Yaoping
  |  
收藏
  |  
浏览/下载:104/0
  |  
提交时间:2020/12/16
OXYGEN-REDUCTION REACTION
ELECTROCHEMICAL OXIDATION
FUEL-CELL
NITRIDE NANOPARTICLES
HYDROGEN STORAGE
BINARY-ALLOYS
PLATINUM
ELECTROCATALYSTS
IR
ELECTROLYSIS
Theoretical Prediction of the Potential Applications of Phenanthroline Derivatives in Separation of Transplutonium Elements
期刊论文
OAI收割
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 16, 页码: 11469-11480
作者:
Liu, Yang
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2020/12/16
DENSITY-FUNCTIONAL THEORY
COORDINATION CHEMISTRY
ELECTRIC-FIELD
ACTINIDE
LANTHANIDE
COMPLEXES
COVALENCY
AM(III)/EU(III)
EXTRACTION
HYDRATION
Deep Understanding of Strong Metal Interface Confinement: A Journey of Pd/FeOx Catalysts
期刊论文
OAI收割
ACS CATALYSIS, 2020, 卷号: 10, 期号: 15, 页码: 8950-8959
作者:
Liu, Jixing
;
Wang, Lu
;
Okejiri, Francis
;
Luo, Jing
;
Zhao, Jiahua
  |  
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2020/12/16
SUPPORT INTERACTIONS
CO2 HYDROGENATION
IN-SITU
OXIDE
OXIDATION
WATER
NANOPARTICLES
ADSORPTION
NO
TRANSFORMATION
Synergistic effects of heteroatom-decorated MXene catalysts for CO reduction reactions
期刊论文
OAI收割
NANOSCALE, 2020, 卷号: 12, 期号: 29, 页码: 15880-15887
作者:
Li, Lei
;
Li, Baihai
;
Guo, Haoran
;
Li, Yanle
;
Sun, Chenghua
  |  
收藏
  |  
浏览/下载:113/0
  |  
提交时间:2020/12/16
HYDROGEN EVOLUTION REACTION
TOTAL-ENERGY CALCULATIONS
ELECTROCHEMICAL REDUCTION
MONOLAYER MXENE
CARBON-DIOXIDE
ELECTROREDUCTION
TRANSITION
CONVERSION
NANOSHEETS
METHANE
Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Property and Molecular Nonlinearity
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5563-5569
作者:
Liu, Zeyu
;
Tian, Ziqi
;
Lu, Tian
;
Hua, Shugui
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2020/12/16
DENSITY-FUNCTIONAL THEORY
ZETA VALENCE QUALITY
GAUSSIAN-BASIS SETS
1ST HYPERPOLARIZABILITY
EXCITATION-ENERGIES
OPTICAL PROPERTIES
APPROXIMATION
ABSORPTION
PARAMETERS
CRYSTAL
Quantum chemical studies of selective back-extraction of Am(III) from Eu(III) and Cm(III) with two hydrophilic 1,10-phenanthroline-2,9-bis-triazolyl ligands
期刊论文
OAI收割
RADIOCHIMICA ACTA, 2020, 卷号: 108, 期号: 7, 页码: 517-526
作者:
Huang, Pin-Wen
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2020/12/16
N,N,N',N'-TETRAOCTYL DIGLYCOLAMIDE
TRIVALENT ACTINIDES
SOLVENT-EXTRACTION
SEPARATION
COMPLEXATION
DENSITY
LANTHANIDES
ENERGY
BONDS
APPROXIMATION
Ammonia Thermal Treatment toward Topological Defects in Porous Carbon for Enhanced Carbon Dioxide Electroreduction
期刊论文
OAI收割
ADVANCED MATERIALS, 2020, 卷号: 32, 期号: 28
作者:
Dong, Yan
;
Zhang, Qiuju
;
Tian, Ziqi
;
Li, Boran
;
Yan, Wensheng
  |  
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2020/12/16
ELECTROCHEMICAL REDUCTION
NANOPOROUS CARBON
CO2 REDUCTION
OXYGEN REDUCTION
NITROGEN
METAL
EFFICIENT
GRAPHENE
CATALYSTS
COPPER