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Paper Publications

[41] zhurongxiu , liuchengbu , zhangdongju and yangyiying. Theoretical Insight into the Mechanism and Origin of Divergent Reactivity in the Synthesis of Ben.... JOURNAL OF ORGANIC CHEMISTRY, 2019.
[42] gaojun , liuchengbu , Changfeng Fang and 赵会. Spin-state energies of heme-related models from spin-flip TDDFT calculations. Phys. Chem. Chem. Phys., 18, 29486, 2016.
[43] zhurongxiu and liuchengbu. Theoretical study on the origin of enantioselectivity in the primary amine–Br？nsted acid cataly.... Tetrahedron: Asymmetry, 2013.
[44] zhurongxiu and liuchengbu. Theoretical study on the mechanism of selective fluorination of aromatic compounds with Selectflu.... RSC advances, 2015.
[45] zhurongxiu and liuchengbu. Theoretical Investigation of Gold-Catalyzed Oxidative Csp3-Csp2 bond Formation via Aromatic C-H A.... RSC advances, 2015.
[46] zhurongxiu and liuchengbu. Revised Role of Selectfluor in Homogeneous Au-Catalyzed Oxidative C-O Bond Formations. CHEMISTRY - A EUROPEAN JOURNAL, 2014.
[47] zhurongxiu and liuchengbu. Theoretical Investigation on the Chiral Diamine-Catalyzed Epoxidation of Cyclic Enones: Mechanism.... JOURNAL OF PHYSICAL CHEMISTRY A, 2012.
[48] gaojun , liuchengbu , liuyongjun 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.
[49] Benjamin QI , Yujun Zheng and liuchengbu. How Do Oxygen Molecules Move into Silver Contacts and Change Their Electronic Transport Propertie.... Physical Review Letters, 2006.
[50] Benjamin QI , liuchengbu and zhangdongju. Theoretical study of the electronic transport property of the hydrogen-Pt contact system. APPLIED PHYSICS LETTERS, 2006.

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