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科研机构
兰州化学物理研究所 [16]
内容类型
期刊论文 [16]
发表日期
2017 [5]
2016 [6]
2015 [4]
2012 [1]
学科主题
物理化学与绿色催化 [16]
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学科主题:物理化学与绿色催化
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Mechanistic Insights into Palladium-Catalyzed Silylation of Aryl Iodides with Hydrosilanes through a DFT Study
期刊论文
Chemistry - An Asian Journal, 2017, 卷号: 12, 期号: 14, 页码: 1749-1757
作者:
Xu, Zheng
;
Xu, Jin-Zhou
;
Zhang, Jin
;
Zheng, Zhan-Jiang
;
Cao, Jian
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2017/08/28
density functional calculations
homogeneous catalysis
palladium
reaction mechanisms
silylation
Tunneling Effect That Changes the Reaction Pathway from Epoxidation to Hydroxylation in the Oxidation of Cyclohexene by a Compound I Model of Cytochrome P450
期刊论文
Journal of Physical Chemistry Letters, 2017, 卷号: 8, 期号: 7, 页码: 1557-1561
作者:
Ranjana Gupta
;
Li, Xiao-Xi
;
Kyung-Bin Cho
;
Guo, Mian
;
Lee, Yong-Min
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2017/05/22
Computational Investigation of the Role Played by Rhodium(V) in the Rhodium(III)-Catalyzed ortho-Bromination of Arenes
期刊论文
Chemistry - A European Journal, 2017, 卷号: 23, 期号: 11, 页码: 2690-2699
作者:
Zhang, Tao
;
Qi, Xiaotian
;
Liu, Song
;
Bai, Ruopeng
;
Liu C(刘超)
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2017/04/27
arenes
bromine
density functional calculations
rhodium
reaction mechanisms
Enhancing activity for carbon dioxide methanation by encapsulating (111) facet Ni particle in metal-organic frameworks at low temperature
期刊论文
Journal of Catalysis, 2017, 卷号: 348, 页码: 200-211
作者:
Zhen WL(甄文龙)
;
Gao, Feng
;
Tian B(田彬)
;
Ding, Ping
;
Deng, Yibing
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2017/08/28
CO2 methanation
Ni(111) facet
High activity
Density-functional theory
Low activation energy
2-Chloro/phenyl-7-arylimino-6,6-dimethylcyclopenta[b]pyridylnickel chlorides: Synthesis, characterization and ethylene oligomerization
期刊论文
Catalysis Communications, 2017, 卷号: 102, 页码: 26-30
作者:
Suo, Hongyi
;
Zhang, Youfu
;
Ma, Zhifeng
;
Yang, Wenhong
;
Zygmunt Flisak
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2017/11/24
Nickel Precatalyst
Ethylene Oligomerization
Substituent Influence
7-aryliminocyclopenta[b]Pyridine
Proton-Promoted and Anion-Enhanced Epoxidation of Olefins by Hydrogen Peroxide in the Presence of Nonheme Manganese Catalysts
期刊论文
Journal of the American Chemical Society, 2016, 卷号: 138, 期号: 3, 页码: 936-943
作者:
Miao CX(苗成霞)
;
Wang B(王斌)
;
Wang Y(王永)
;
Xia CG(夏春谷)
;
Lee, Yong -Min
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2016/04/11
Synthesis, characterization, and reactivity of a side-on manganese(III)-peroxo complex bearing a pentadentate aminopyridine ligand
期刊论文
Dalton Transactions, 2016, 卷号: 45, 期号: 25, 页码: 10131-10135
作者:
Du JY(杜俊毅)
;
Xu DQ(徐大乾)
;
Zhang, Chunxi
;
Xia CG(夏春谷)
;
Wang Y(王永)
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2016/08/23
Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes to Silicon-Stereogenic Silanes: A Density Functional Theory Study
期刊论文
Chemistry - An Asian Journal, 2016, 卷号: 11, 期号: 20, 页码: 2867-2875
作者:
Zhang, Jin
;
Xu, Jin-Zhou
;
Zheng ZJ(郑战江)
;
Xu, Zheng
;
Cui, Yu-Ming
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2016/12/23
density functional calculations
desymmetrization
reaction mechanisms
ring expansion
silylation
How PBDEs Are Transformed into Dihydroxylated and Dioxin Metabolites Catalyzed by the Active Center of Cytochrome P450s: A DFT Study
期刊论文
Environmental Science and Technology, 2016, 卷号: 50, 期号: 15, 页码: 8155-8163
作者:
Fu, Zhiqiang
;
Wang Y(王永)
;
Chen, Jingwen
;
Wang, Zhongyu
;
Wang, Xingbao
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2016/10/17
Rhodium-Catalyzed Cyclocarbonylation of Ketimines via C-H Bond Activation
期刊论文
Organometallics, 2016, 卷号: 35, 期号: 10, 页码: 1480-1487
作者:
Gao B(高宝)
;
Liu, Song
;
Lan, Yu
;
Huang HM(黄汉民)
;
Huang HM(黄汉民)
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2016/08/19
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