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[41] Changfeng Fang , gaojun , liuchengbu and 赵会. Spin-state energies of heme-related models from spin-flip TDDFT calculations. Phys. Chem. Chem. Phys., 18, 29486, 2016.
[42] Yujun Zheng , Benjamin QI and liuchengbu. How do oxygen molecules move into silver contacts and change their electronic transport propertie.... physical Review Letters, 2006.
[43] zhurongxiu , guojinxin , zhangdongju , limingxia and liuchengbu. Theoretical Studies on the Mechanism of Water-dependent Chemoselectivity in the Pt-Catalyzed Hydr.... 高等学校化学学报, 2015.
[44] zhurongxiu , guojinxin , zhangdongju , limingxia and liuchengbu. Theoretical Studies on the Mechanism of Water-dependent Chemoselectivity in the Pt-Catalyzed Hydr.... CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2015.
[45] zhurongxiu , liuchengbu and zhangdongju. Theoretical Insight into the Mechanism and Origin of Divergent Reactivity in the Synthesis of Ben.... The Journal of Organic Chemistry, 2019.
[46] zhangdongju , zhurongxiu and liuchengbu. Computational study on the 1,3-diyne synthesis from gold(i)-catalyzed alkynylation of terminal al.... CATALYSIS SCIENCE & TECHNOLOGY , 2019.
[47] zhurongxiu , liuchengbu , zhangdongju and 刘艳红. Computational study on the 1,3-diyne synthesis from gold(i)-catalyzed alkynylation of terminal al.... CATALYSIS SCIENCE & TECHNOLOGY , 2019.
[48] 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.
[49] 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.
[50] zhurongxiu and liuchengbu. Theoretical study on the origin of enantioselectivity in the primary amine–Br？nsted acid cataly.... Tetrahedron: Asymmetry, 2013.

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