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浏览/检索结果: 共73条，第1-10条 帮助 限定条件 学科主题：Chemistry     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 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：41/0  |  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   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   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   Nanoheterostructures of Partially Oxidized RuNi Alloy as Bifunctional Electrocatalysts for Overall Water Splitting 期刊论文  OAI收割 CHEMSUSCHEM, 2020, 卷号: 13, 期号: 10, 页码: 2739-2744 作者:  Lin, Gaoxin;  Wang, Yuandong;  Hong, Jinhua;  Suenaga, Kazu;  Liu, Lijia   |  收藏  |  浏览/下载：18/0  |  提交时间：2020/12/16 OXYGEN EVOLUTION  HIGHLY EFFICIENT  HYDROGEN  DESIGN   Edge-sited Fe-N-4 atomic species improve oxygen reduction activity via boosting O-2 dissociation 期刊论文  OAI收割 APPLIED CATALYSIS B-ENVIRONMENTAL, 2020, 卷号: 265 作者:  Ma, Ruguang;  Lin, Gaoxin;  Ju, Qiangjian;  Tang, Wei;  Chen, Gen   |  收藏  |  浏览/下载：32/0  |  提交时间：2020/12/16 HIGH ELECTROCATALYTIC ACTIVITY  DOPED CARBON  FREE CATALYST  FE  NITROGEN  PERFORMANCE  GRAPHENE  CO   A size tunable bimetallic nickel-zinc nitride as a multi-functional co-catalyst on nitrogen doped titania boosts solar energy conversion 期刊论文  OAI收割 DALTON TRANSACTIONS, 2020, 卷号: 49, 期号: 15, 页码: 4887-4895 作者:  Qi, Weiliang;  Meng, Xiangjian;  Adimi, Samira;  Guo, Haichuan;  Thomas, Tiju   |  收藏  |  浏览/下载：96/0  |  提交时间：2020/12/16 PHOTOCATALYTIC HYDROGEN EVOLUTION  NONNOBLE METAL ELECTROCATALYSTS  VISIBLE-LIGHT  ELECTRONIC-STRUCTURE  NI2P COCATALYST  H-2 EVOLUTION  WATER  REDUCTION  TIO2  NANOSHEETS