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[161] Jianqiang Liu , liuchengbu and zhangdongju. A New Family of Heterofullerenes: Stoichiometric TiO2 Nanoclusters. JOURNAL OF PHYSICAL CHEMISTRY C, 113, 21, 2009.
[162] gaojun , liuchengbu , Changfeng Fang and 赵会. Spin-state energies of heme-related models from spin-flip TDDFT calculations. 18, 29486, 2016.
[163] gaojun , zhanjinhua , liuchengbu and zhangdongju. New Understanding of the Formation of PCDD/Fs from Chlorophenol Precursors: A Mechanistic and Kin.... J. Phys. Chem. A, 2014.
[164] liuyongjun , liuchengbu and 高军. Metal vs. chalcogen competition in the catalytic mechanism of cysteine dioxygenase. Journal of Inorganic Biochemistry, 122, 1, 2013.
[165] liuyongjun , zhangdongju , liuchengbu and 高军. The reaction mechanism of hydroxyethylphosphonate dioxygenase: a QM/MM study. Organic & Biomolecular Chemistry, 10, 1014, 2012.
[166] liuchengbu , mayuchen and 冯瑾. Passivated Codoping Can Improve the Solar-to-Hydrogen Efficiency of Graphitic Carbon Nitride. JOURNAL OF PHYSICAL CHEMISTRY C, 122, 7296, 2018.
[167] liuchengbu and zhurongxiu. Theoretical study on the mechanism of selective fluorination of aromatic compounds with Selectflu.... RSC advances, 2015.
[168] Zhang Heng , liuchengbu , yuanshiling and 刘刚. Monte Carlo模拟研究有机分子的模板诱导定位沉积. 中国科学：化学, 45, 1271, 2015.
[169] liuchengbu and zhurongxiu. Theoretical Investigation of Gold-Catalyzed Oxidative Csp3-Csp2 bond Formation via Aromatic C-H A.... RSC advances, 2015.
[170] gaojun , liuchengbu and zhangdongju. Mechanistic insight into the hydrodesulfurization of thiophene by a molecular tungsten complex W(.... Appl. Catal. A-Gen, 2014.

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