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The Journal of Physical Chemistry. A|November 18, 2010
Theoretical investigation on the isomerization reaction of 4-phenyl-hexa-1,5-enyne catalyzed by homogeneous Au catalystsYuxia Liu, Dongju Zhang, Siwei BiThe Journal of Physical Chemistry. A|October 13, 2023
Origin of Enantio- and Chemoselectivity in the Synthesis of Spirocycles via Palladium/Xu-Phos-Catalyzed Cascade Heck/Remote C(sp<sup>2</sup>)-H Alkylation: A Computational Mechanistic StudyXuexiang Ma, Aili Feng, Dongju ZhangDalton Transactions (Cambridge, England : 2003)|June 23, 2021
Mechanistic insights into Ni-catalyzed hydrogen atom transfer (HAT)-triggered hydrodefluorination of CF<sub>3</sub>-substituted alkenesJiandong Guo, Dongju Zhang, Xiaotai WangThe Journal of Physical Chemistry. A|November 20, 2010
Investigation on the inclusions of PCB52 with cyclodextrins by performing DFT calculations and molecular dynamics simulationsPeng Liu, Dongju Zhang, Jinhua ZhanJournal of Molecular Modeling|December 14, 2011
A comparative theoretical study for the methanol dehydrogenation to CO over Pt3 and PtAu2 clustersWenhui Zhong, Yuxia Liu, Dongju ZhangCarbohydrate Research|April 30, 2013
Theoretical study on the mechanism of the side reaction of 1-butyl-3-methylimidazolium cation with D-glucoseXiaofeng Wei, Zhe Han, Dongju ZhangJournal of Molecular Modeling|December 22, 2010
New insight into the formation mechanism of imidazolium-based halide saltsXueying Zhu, Dongju Zhang, Chengbu LiuJournal of Molecular Modeling|July 28, 2010
Structures of Au/Pt bimetallic clusters: homogeneous or segregated?Fang Wang, Peng Liu, Dongju ZhangNanotechnology|May 8, 2009
Silicon-doped carbon nanotubes: a potential resource for the detection of chlorophenols/chlorophenoxy radicalsHaihui Jiang, Dongju Zhang, Ruoxi WangChemosphere|October 25, 2016
DFT study of the adsorption of 2,3,7,8-tetrachlorodibenzo-p-dioxin on pristine and Ni-doped boron nitride nanotubesRuoxi Wang, Dongju Zhang, Chengbu LiuPageof 12