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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
Volumetric property of glycine, L-serine, L-alanine and L-proline in aqueous solutions of 1-phenylpiperazinium tetrafluoroborate 期刊论文
2016, 卷号: 99, 页码: 75
作者:  Xie, Hujun[1];  Zhao, Lijiang[1];  Liu, Chengcheng[1];  Cao, Yifan[1];  Lu, Xiaoxing[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:4/0  |  提交时间:2019/12/26
Theoretically exploring the key role of the Lys412 residue in the conversion of N2O to N-2 by nitrous oxide reductase from Achromobacter cycloclastes 期刊论文
2015, 卷号: 39, 期号: 10, 页码: 8093
作者:  Xie, Hujun[1];  Liu, Chengcheng[1];  Chen, Xuelin[1];  Lei, Qunfang[2];  Fang, Wenjun[2]
收藏  |  浏览/下载:8/0  |  提交时间:2019/12/26
Pd-catalyzed bicyclization of 2-alkynylhalobenzenes and propargylic alcohols for the formation of indeno[1,2]furans: a DFT study 期刊论文
2014, 卷号: 27, 期号: 3, 页码: 237
作者:  Yang, Liu[1];  Ren, Gerui[1];  Ye, Xinchen[1];  Que, Xianyong[1];  Lei, Qunfang[2]
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/26
Mechanisms and Origins of Switchable Regioselectivity of Palladium- and Nickel-Catalyzed Allene Hydrosilylation with N?Heterocyclic Carbene Ligands: A Theoretical Study 期刊论文
2014, 卷号: 79, 期号: 10, 页码: 4517
作者:  Hujun Xie[1];  Lijiang Zhao[1];  Liu Yang[1];  Chunhua Xiong[1];  Qunfang Lei[2]
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/26
Reaction Mechanisms of a Tungsten-Germylyne Complex with One or Two Molecules of Alcohols and Arylaldehydes: A DFT Study 期刊论文
2014, 卷号: 2014, 期号: 9, 页码: 1502
作者:  Ye, Xinchen[1];  Yang, Liu[1];  Li, Yang[1];  Huang, Jianying[1];  Zhou, Li[1]
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/26
Exploring the reaction mechanism of a cationic terminal iridium methylene complex with ethyl diazoacetate, a Lewis base and dihydrogen: a quantum chemistry study 期刊论文
2014, 卷号: 38, 期号: 9, 页码: 4115
作者:  Ye, Xinchen[1];  Yang, Liu[1];  Wu, Zunyi[1];  Ren, Gerui[1];  Lu, Yanbin[1]
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/26
A DFT study on palladium-catalyzed decarboxylative intramolecular aziridination reaction mechanism 期刊论文
2013, 卷号: 745, 页码: 417
作者:  Xie, Hujun[1];  Lin, Furong[1];  Yang, Liu[1];  Chen, Xuesheng[1];  Ye, Xinchen[1]
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/26


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