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Paper Publications

[11] 王丽丽. Toward the Development of the Potential with Angular Distortion for Halogen Bond: A Comparison of.... JOURNAL OF PHYSICAL CHEMISTRY A, 118, 2014.
[12] 王丽丽. Theoretical study on the working mechanism of a reversible light-driven rotary molecular motor. THEORETICAL CHEMISTRY ACCOUNTS, 133, 2014.
[13] 许吉宏. Density Functional Theory Study of Gold-Catalyzed 1,2-Diarylation of Alkenes: pi-Activation versu.... The Journal of Organic Chemistry, 87, 4078, 2022.
[14] 许吉宏. DFT Mechanistic Study of Ir-III/Ni-II-Metallaphotoredox-Catalyzed Difluoromethylation of Aryl Bro.... Inorganic chenistry, 60, 8682, 2021.
[15] 赵霞. DFT study of Ni/NHC-catalyzed C-H alkylation of fluoroarenes with alkenes to synthesize fluorotet.... Organic Chemistry Frontier, 8, 1520, 2021.
[16] 刘艳红. DFT study on synergetic Ir/Cu-metallaphotoredox catalyzed trifluoromethylation of aryl bromides. MOLECULAR CATALYSIS, 499, 2021.
[17] 刘沙沙. Molecular Dynamics Simulation of Pulsed Electric Field O/W Emulsion Demulsification. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES, 42, 2170, 2021.
[18] 牟景林. Photoluminescence of Single-Walled Carbon Nanotubes:The Role of Stokes Shift and Impurity Levels. Physical Review Letters, 111, 137401, 2013.
[19] 阴化冰. Charge-Transfer Excited States in Aqueous DNA: Insights from Many-Body Green’s Function Theory. Physical Review Letters, 112, 228301, 2014.
[20] 阴化冰. Quasiparticle electronic structure and optical absorption of diamond nanoparticles from ab initio.... Journal of Chemical Physics, 140, 214315, 2014.

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