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[91] gaojun , liuchengbu , liuyongjun and 高军. Water-Dependent Reaction Pathways: An Essential Factor for the Catalysis in HEPD Enzyme. JOURNAL OF PHYSICAL CHEMISTRY B, 116, 11837, 2012.
[92] liuchengbu and zhurongxiu. Theoretical Investigation on the Chiral Diamine-Catalyzed Epoxidation of Cyclic Enones: Mechanism.... Journal of Physical Chemistry A, 2012.
[93] gaojun , liuyongjun , liuchengbu and 高军. Metal vs. chalcogen competition in the catalytic mechanism of cysteine dioxygenase. Journal of Inorganic Biochemistry, 122, 1, 2013.
[94] liuyongjun , liuchengbu and 高军. Molecular dynamics simulation of the interaction between protein tyrosine phosphatase 1B and ary.... Journal of Molecular Graphics and Modelling, 38, 186, 2012.
[95] gaojun , liuchengbu , zhangdongju and 高军. Hydrogen bond network of 1-alkyl-3-methylimidazolium ionic liquids: a network theory analysis. Journal of Theoretical and Computational Chemistry, 11, 587, 2012.
[96] zhurongxiu and liuchengbu. A DFT study on the mechanism and regio selectivity of the tandem O-nitroso aldol/Michael reaction.... JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 815, 105, 2007.
[97] mayuchen , liuchengbu and chentingwei. Origin of the deep band-gap state in TiO2: dd sigma bonds between Ti-Ti pairs. Physical review B, 98, 2018.
[98] liuchengbu , zhangdongju and 朱有涛. Cleavage of the -O-4 bond in a lignin model compound using the acidic ionic liquid 1-H-3-methylim.... Journal of Molecular Modeling, 24, 2018.
[99] zhurongxiu , liuchengbu , zhangdongju and 靖亚茹. Theoretical Elucidation of the Mechanism and Kinetic Experimental Phenomena on the Esterification.... J. Org. Chem., 82, 12267, 2017.
[100] zhurongxiu , liuchengbu , zhangdongju and 刘艳红. The Dual Role of Gold(I) Complexes in Photosensitizer-Free Visible-Light-Mediated Gold-Catalyzed .... Chemistry-A European Journal, 24, 14119, 2018.

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