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Chinese Academy of Sciences Institutional Repositories Grid
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化学研究所 [2]
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OAI收割 [9]
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期刊论文 [9]
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2022 [2]
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2019 [2]
2017 [2]
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2014 [1]
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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
OAI收割
APPLIED GEOCHEMISTRY, 2022, 卷号: 139, 页码: 11
作者:
He, Yuyang
;
Li, Long
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2022/07/18
Reduced partition function ratio
Nitrate reduction
Water-droplet model
Solvent effect
Inverse kinetic isotope effect
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
OAI收割
APPLIED GEOCHEMISTRY, 2022, 卷号: 139, 页码: 11
作者:
He, Yuyang
;
Li, Long
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2022/07/19
Reduced partition function ratio
Nitrate reduction
Water-droplet model
Solvent effect
Inverse kinetic isotope effect
Preparation of high-precision CO2 with known triple oxygen isotope for oxygen isotope analysis
期刊论文
OAI收割
ISOTOPES IN ENVIRONMENTAL AND HEALTH STUDIES, 2021, 页码: 14
作者:
Sha, Lijuan
;
Mahata, Sasadhar
;
Duan, Pengzhen
;
Zong, Baoyun
;
Ning, Youfeng
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/12/07
Triple oxygen isotope
combustion reaction
Pt-catalyst
carbon dioxide
kinetic isotope effect
oxygen-16
oxygen-18
Highly Efficient Metal-Free Nitrogen-Doped Nanocarbons with Unexpected Active Sites for Aerobic Catalytic Reactions
期刊论文
OAI收割
ACS NANO, 2019, 卷号: 13, 期号: 12, 页码: 13995-14004
作者:
Lin, Yangming
;
Liu, Zigeng
;
Niu, Yiming
;
Zhang, Bingsen
;
Lu, Qing
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/02/02
nanodiamond
carbon materials
metal-free
nitrogen-doped
catalysis
model catalyst
kinetic isotope effect
Thermal rate coefficients and kinetic isotope effects of the reaction HO + H2O -> H2O + OH
期刊论文
OAI收割
THEORETICAL CHEMISTRY ACCOUNTS, 2019, 卷号: 138, 期号: 9, 页码: 7
作者:
Zhu, Yongfa
;
Lu, Yunpeng
;
Song, Hongwei
  |  
收藏
  |  
浏览/下载:63/0
  |  
提交时间:2019/12/06
Hydrogen-transfer reaction
Kinetic isotope effects
Quantum tunneling effect
Transition state theory
Quasi-classical trajectory
Aqueous Oxidations Started by TiO2 Photoinduced Holes Can Be a Rate-Determining Step
期刊论文
OAI收割
CHEMISTRY-AN ASIAN JOURNAL, 2017, 卷号: 12, 期号: 16, 页码: 2048-2051
作者:
Gong, Yuanzheng
;
Yang, Chun
;
Ji, Hongwei
;
Chen, Chuncheng
;
Ma, Wanhong
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2018/05/25
h(Vb)(+)/(Oh)-o-center Dot Oxidation
Hydroxylation Of Aromatics
Inverse Kinetic Isotope Effect
Rate-determining Step
Tio2 Photocatalysis
Novel visible-light-driven Z-scheme Bi12GeO20/g-C3N4 photocatalyst: Oxygen-induced pathway of organic pollutants degradation and proton assisted electron transfer mechanism of Cr(VI) reduction
期刊论文
OAI收割
APPLIED CATALYSIS B-ENVIRONMENTAL, 2017, 卷号: 207, 页码: 17-26
作者:
Wan, Zhen
;
Zhang, Gaoke
;
Wu, Xiaoyong
;
Yin, Shu
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2018/01/12
Z-scheme
Bi12geo20/g-c3n4 Composite
Oxygen-induced Pathway
Kinetic Isotope Effect
Proton Assisted Electron Transfer
Effect of N-methyl deuteration on metabolism and pharmacokinetics of enzalutamide
期刊论文
OAI收割
DRUG DESIGN DEVELOPMENT AND THERAPY, 2016, 卷号: 10, 页码: 2181-2191
作者:
Jiang, Jinfang
;
Pang, Xuehai
;
Li, Liang
;
Dai, Xiaojian
;
Diao, Xingxing
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/01/08
enzalutamide
N-methyl deuteration
deuterium kinetic isotope effect
pharmacokinetics
The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side-chain cleavage enzyme
期刊论文
OAI收割
theoretical chemistry accounts, 2014, 卷号: 133, 期号: 6
作者:
Zhang, Xiaoqian
;
Liu, Yufang
;
Wang, Yong
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2015/11/17
Cytochrome P450 enzyme
Hydroxylation
Density functional theoretical calculation
Hydrogen bond
Kinetic isotope effect