研究领域
持久性有机污染物富集和检测/贵金属纳米团簇催化机理。
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1. Peng Liu, Dongju Zhang*, Jinhua Zhan
Investigation on the Inclusions of PCB52 with Cyclodextrins by Performing DFT Calculations and Molecular Dynamics Simulations, J. Phys. Chem. A, 2010, 114, 13122-13128
2. Dongju Zhang*, Peng Liu, Chengbu Liu
Thinnest Titanium Dioxide Nanowires Assembled by Ti2O4 Building Blocks, J. Phys. Chem. C, 2008, 112, 16729-16732.
3. Peng Liu, Ke Song, Dongju Zhang, Chengbu Liu
A comparative theoretical study of the catalytic activities of Au2- and AuAg- dimers for CO oxidation, J. Mol. Model., 2012, 18, 1809-1818
4. Peng Liu, Jianqiang Liu, Dongju Zhang*, Changqiao Zhang
A Comparative Theoretical Study of the Reactivities of the Al+ and Cu+ Ions towards Methylamine and Dimethylamine, Inter. J. Quantum Chem., 2010, 110, 1583-1593.
5. Peng Liu, Hao Xu, Dongju Zhang, Jinhua Zhan
Molecular inclusion of PCB126 by beta-cyclodextrin: a combined molecular dynamics simulation and quantum chemical study, J. Incl. Phenom. Macrocycl. Chem.,2013, 76, 301-309.
6. Fang Wang, Peng Liu, Dongju Zhang*
Structures of Au/Pt bimetallic clusters: homogeneous or segregated? J. Mol. Model.,2011, 17, 1069-1073
7. Daoshan Yang, Peng Liu, Ning Zhang, Wei Wei, Mingbo Yue, Jinmao You, Hua Wang
Mesoporous Poly(melamine–formaldehyde): A Green and Recyclable Heterogeneous Organocatalyst for the Synthesis of Benzoxazoles and Benzothiazoles Using Dioxygen as Oxidant，Chemcatchem. 2014, DOI: 10.1002/cctc.201402628, in press.
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