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Structural analysis of (S)-1-((1H-benzo[d][1,2,3]triazol-1-yl)oxy)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-2-ol and binding mechanism with alpha(1A)-adrenoceptor: TDDFT calculations, X-ray crystallography and molecular docking 期刊论文
2016, 卷号: 1106, 期号: [db:dc_citation_issue], 页码: 485
作者:  Xu, Wei[1];  Shao, Binhao[1];  Xu, Xingjie[1];  Jiang, Renwang[2];  Yuan, Mu[1]
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/03
First principles phase transition, elastic properties and electronic structure calculations for cadmium telluride under induced pressure: density functional theory, LDA, GGA and modified Becke-Johnson potential 期刊论文
2016, 卷号: 3, 期号: 1
作者:  Kabita, Kh[1];  Maibam, Jameson[1];  Sharma, B. Indrajit[1];  Singh, R. K. Brojen[2];  Thapa, R. K.[3]
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/10
Structural analysis of (S)-1-((1H-benzo[d][1,2,3]triazol-1-yl)oxy)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-2-ol and binding mechanism with α1A-adrenoceptor: TDDFT calculations, X-ray crystallography and molecular docking 期刊论文
2016, 卷号: 1106, 页码: 485
作者:  Xu, Wei[1];  Shao, Binhao[1];  Xu, Xingjie[1];  Jiang, Renwang[2];  Yuan, Mu[1]
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/13
Mechanism of Rh(III)-catalyzed cyclopropanation using N-enoxyphthalimides and alkenes: Insights from DFT calculations 期刊论文
2016, 卷号: 72, 期号: 51, 页码: 8456
作者:  Deng, Jiaojiao[1];  Wen, Xiuling[1];  Qiu, Zhiping[1];  Li, Juan[1]
收藏  |  浏览/下载:9/0  |  提交时间:2019/12/06


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