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CORC

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Non-innocent PNN ligand is important for CO oxidation by N2O catalyzed by a (PNN)Ru-H pincer complex: insights from DFT calculations 期刊论文
2018, 卷号: 47, 期号: 43, 页码: 15324
作者:  Xie, Hujun[1];  Zhang, Yutong[1];  Xiang, Chuyue[1];  Li, Yang[1];  Fan, Ting[2]
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/26
A substrate-dependent mechanism for the reactions of a hydrido(hydrosilylene)ruthenium complex with carbonyl compounds: insights from quantum chemical calculations 期刊论文
2017, 卷号: 41, 期号: 1, 页码: 198
作者:  Kuang, Jian[1];  Li, Yang[1];  Wang, Lihong[1];  Wu, Zunyi[1];  Lei, Qunfang[2]
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/30
Oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives by nitrous oxide via selective oxygen atom transfer reactions: Insights from quantum chemistry calculations 期刊论文
2016, 卷号: 45, 期号: 3, 页码: 1152
作者:  Xie, Hujun[1];  Liu, Chengcheng[1];  Yuan, Ying[1];  Zhou, Tao[1];  Fan, Ting[2]
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/30
The mechanisms for triple gold(I)-catalyzed (4+1) cycloaddition of methylenecyclopropane with 7-naphthyl-1,3,5-cycloheptatriene: Insight into from density functional calculations 期刊论文
2016, 卷号: 1084, 页码: 25
作者:  Song, Zhijun[1];  Liu, Chengcheng[1];  Chen, Xuelin[1];  Yan, Wenhui[1];  Cao, Yifan[1]
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/26
Dehydrogenation of benzyl alcohol with N2O as the hydrogen acceptor catalyzed by the rhodium(I) carbene complex: insights from quantum chemistry calculations 期刊论文
2016, 卷号: 45, 期号: 41, 页码: 16485
作者:  Xie, Hujun[1];  Li, Yang[1];  Huang, Lvtao[1];  Nong, Fangli[1];  Ren, Gerui[1]
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/26
Oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl) hafnium derivatives by nitrous oxide via selective oxygen atom transfer reactions: insights from quantum chemistry calculations 期刊论文
2016, 卷号: 45, 期号: 3, 页码: 1152
作者:  Xie, Hujun[1];  Liu, Chengcheng[1];  Yuan, Ying[1];  Zhou, Tao[1];  Fan, Ting[2]
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/26
Mechanisms and Reactivity Differences for Cycloaddition of Anhydride to Alkyne Catalyzed by Palladium and Nickel Catalysts: Insight from Density Functional Calculations 期刊论文
2014, 卷号: 79, 期号: 24, 页码: 11911
作者:  Xie, Hujun[1];  Sun, Qiang[1];  Ren, Genui[1];  Cao, Zexing[2,3]
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/26
Density Functional Study on the Mechanism of Amadori Rearrangement Reaction 期刊论文
2011, 卷号: 30, 期号: 6, 页码: 827
作者:  XIE Hu-Jun[1];  BAO Xiu-Xiu[1];  CHEN Zu-Qin[1]
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/26
Theoretical Calculations on 1-Substituted-2-aminobenzimidazole Derivatives and Studies on Quantitative Structure-activity Relationship (QSAR) 期刊论文
2011, 卷号: 69, 期号: 4, 页码: 399
作者:  Xie Hujun[1,2];  Lei Qunfang[1];  Hu Xiaohuan[1];  Xuan Guida[3];  Fang Wenjun[1]
收藏  |  浏览/下载：1/0  |  提交时间：2019/12/26
Enzymatic Reduction of Nitrate to Nitrite: Insight from Density Functional Calculations 期刊论文
2010, 卷号: 29, 期号: 2, 页码: 436
作者:  Xie, Hujun[3];  Cao, Zexing[1,2]
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/26

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