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The Journal of Physical Chemistry. B|September 8, 2006
DFT description on electronic structure and optical absorption properties of anionic S-doped anatase TiO2FengHui Tian, ChengBu LiuJournal of Molecular Modeling|December 22, 2010
New insight into the formation mechanism of imidazolium-based halide saltsXueying Zhu, Dongju Zhang, Chengbu LiuJournal of Molecular Graphics & Modelling|December 11, 2012
Theoretical studies on the common catalytic mechanism of transketolase by using simplified modelsXiang Sheng, Yongjun Liu, Chengbu LiuThe Journal of Physical Chemistry. B|July 28, 2006
New route for stabilizing silicon fullerenesDongju Zhang, Guanlun Guo, Chengbu LiuThe Journal of Physical Chemistry. B|March 11, 2006
Novel chemical sensor for cyanides: boron-doped carbon nanotubesYuemei Zhang, Dongju Zhang, Chengbu LiuOrganic & Biomolecular Chemistry|July 13, 2018
Theoretical insight into the mechanism, regioselectivity, and substituent group effect of Rh-catalyzed synthesis of 1,2-benzothiazines from NH-sulfoximines and diazo compoundsJing Yan, Chengbu Liu, Dongju ZhangThe Journal of Physical Chemistry. B|September 2, 2009
Glycine canonical and zwitterionic isomers within zeolitesGang Yang, Lijun Zhou, Chengbu LiuChemosphere|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 LiuChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 10, 2015
Theoretical Explanation for How SO3H-Functionalized Ionic Liquids Promote the Conversion of Cellulose to GlucoseJingjing Li, Jinghua Li, Dongju Zhang, et al.The Journal of Physical Chemistry. A|January 19, 2010
Structure of 1-butylpyridinium tetrafluoroborate ionic liquid: quantum chemistry and molecular dynamic simulation studiesHui Sun, Baofu Qiao, Dongju Zhang, et al.Pageof 10