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The important role of Ga vacancies in the ferromagnetic GaN thin filmsSCI被引量:SCI原文链接 期刊论文
2017, 卷号: 699, 页码: 596-600
作者:  Gao, Xingguo[1];  Man, Baoyuan[2];  Zhang, Chao[2];  Leng, Jiancai[1];  Xu, Yulong[1]
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/28
Hybrid QM/MM Simulation with a Multilayered-representation Approach for an Ionic SN2 Reaction in Water: NH2Cl + OH-→NH2OH + Cl- 会议论文
烟台, 2015-8-10
作者:  Jing lv[1];  Dunyou Wang[1];  Jingxue Zhang[1];  Yulong Xu[1]
收藏  |  浏览/下载:2/0  |  提交时间:2020/01/07
Quantum mechanical and molecular mechanics approach with a multilayered-quantum representation study of solvent effects and potentials of mean force for the CH3CH2Cl + ClO- S(N)2 reaction in aqueous solutionSCI被引量:SCI原文链接 期刊论文
2015, 卷号: 134, 期号: 2
作者:  Zhang, Jingxue[1];  Xu, Yulong[1,2];  Lv, Jing[1];  Wang, Dunyou[1]
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/31
Investigation of the CH3Cl + CN- reaction in water: Multilevel quantum mechanics/molecular mechanics studySCI被引量:SCI原文链接 期刊论文
2015, 卷号: 142, 期号: 24
作者:  Xu, Yulong[1,2];  Zhang, Jingxue[2];  Wang, Dunyou[2]
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/28
A multilayered-representation, quantum mechanical/molecular mechanics study of the CH3Cl + F- reaction in aqueous solution: the reaction mechanism, solvent effects and potential of mean forceSCI被引量:SCI原文链接 期刊论文
2014, 卷号: 16, 期号: 16, 页码: 7611-7617
作者:  Zhang, Jingxue[1];  Xu, Yulong[1,2];  Chen, Jie[1];  Wang, Dunyou[1]
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/28
Solvent effects and potential of mean force: a multilayered-representation quantum mechanical/molecular mechanics study of the CH3Br + CN- reaction in aqueous solutionSCI被引量:SCI原文链接 期刊论文
2014, 卷号: 16, 期号: 37, 页码: 19993-20000
作者:  Xu, Yulong[1,2];  Zhang, Jingxue[1];  Wang, Dunyou[1]
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/28


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