CORC

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CORC

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A DFT study on the mechanisms of hydrogenation and hydrosilylation of nitrous oxide catalyzed by a ruthenium PNP pincer complex 期刊论文
2018, 卷号: 1128, 页码: 48
作者:  Yao, Lanying[1];  Li, Yang[1];  Huang, Lvtao[1];  Guo, Kai[1];  Ren, Gerui[1]
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/26
The reactivity of coordinatively unsaturated iridium methylene complex Ir = CH2[N(SiMe2CH2PPh2)(2)]: A quantum chemistry study 期刊论文
2018, 卷号: 1138, 页码: 91
作者:  Wu, Zunyi[1];  Xiang, Chuyue[1];  Zhang, Yutong[1];  Song, Zhijun[1];  Lei, Qunfang[2]
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/26
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
N-Insertion reaction mechanisms of phenyl azides with a hafnium hydride complex: a quantum chemistry calculation 期刊论文
2017, 卷号: 41, 期号: 12, 页码: 5007
作者:  Xie, Hujun[1];  Wang, Lihong[1];  Li, Yang[1];  Kuang, Jian[1];  Wu, Zunyi[1]
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/26
A DFT Study on Palladium and Nickel-Catalyzed Regioselective and Stereoselective Hydrosilylation of 1,3-Disubstituted Allenes 期刊论文
2017, 卷号: 36, 期号: 17, 页码: 3371
作者:  Xie, Hujun[1];  Kuang, Jian[1];  Wang, Lihong[1];  Li, Yang[1];  Huang, Lvtao[1]
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/26
Why different ligands can control stereochemistry selectivity of Ni-catalyzed Suzuki-Miyaura cross-coupling of benzylic carbamates with arylboronic esters: a mechanistic study 期刊论文
2017, 卷号: 46, 期号: 38, 页码: 13010
作者:  Xie, Hujun[1];  Li, Yang[1];  Wang, Lihong[1];  Kuang, Jian[1];  Lei, Qunfang[2]
收藏  |  浏览/下载：4/0  |  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：5/0  |  提交时间：2019/12/30
New progress in theoretical studies on palladium-catalyzed C-C bond-forming reaction mechanisms 期刊论文
2016, 卷号: 0, 期号: 11, 页码: 1432
作者:  Hujun Xie[1];  Ting Fan[2];  Qunfang Lei[3];  Wenjun Fang[1]
收藏  |  浏览/下载：1/0  |  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

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