Zobrazeno 1 - 10
of 39
pro vyhledávání: '"Da-Gang Zhou"'
Publikováno v:
Organic & Biomolecular Chemistry; 5/14/2024, Vol. 22 Issue 18, p3693-3707, 15p
The mechanisms between CH3CN and 1,3-dimethyl-1H-indole, initiated by DCP (dicumyl peroxide), have been studied with the B3LYP-D3 method with def2TZVP basis set for all atoms, and the SMD model was applied to simulate the solvent of acetonitrile. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5266f7a383efc328b85b44f6c4a173d7
Autor:
Da-Gang Zhou, Peng Wang
Publikováno v:
New Journal of Chemistry. 44:2833-2846
The mechanisms for the reaction between ethyl 2-(p-tolylamino)acetate and phenylethylene have been investigated at the M06-L-D3/6-311+G(d,p) level, and the SMD model was applied to simulate the solvent. The computational results suggest that the Csp3
Autor:
Da-Gang Zhou, Yan-Qiong Li
Publikováno v:
The Journal of Physical Chemistry A. 124:395-408
The mechanisms for the reaction between diphenylamine and diethyl 2-phenylmalonate were investigated using M06-2X-D3/6-31+G(d,p) method and level, and the SMD model was applied to simulate the solvent effect. The computational results suggested that
Autor:
Da-Gang Zhou, Qian-Mei Hou
Publikováno v:
Journal of Physical Organic Chemistry. 35
Autor:
Pan-Pan Zhou, Da-Gang Zhou
Publikováno v:
Journal of Physical Organic Chemistry. 34
Autor:
Da-Gang Zhou, Chun-An Fan, Bo Chen, Long He, Pan Shi, Pan Ting, Quan-Zhong Liu, Ya-Li Zeng, Wen-Dao Chu
Publikováno v:
Organic Letters. 21:6397-6402
The first copper hydride (CuH)-catalyzed asymmetric 1,6-conjugate reduction of p-quinone methides is reported. This protocol provides a new method to access a variety of triarylmethanes and 1,1,2-triarylethanes in good yields with excellent enantiose
Autor:
Zhe‐Peng Deng, Da-Gang Zhou
Publikováno v:
Journal of Physical Organic Chemistry. 34
Publikováno v:
Computational and Theoretical Chemistry. 1208:113545
Autor:
Da-Gang Zhou, Xiu-Fang Zheng
Publikováno v:
Computational and Theoretical Chemistry. 1207:113523
Mechanisms for asymmetric sulfa-Michael additions between phenylacetylene and thiolacetic acid have been investigated with M06-2X-D3/ma-def2-TZVP level, and SMD model was taken to simulate the solvent effect of toluene. The computational results sugg