1. Fangjian Shang,# Runze Liu,# Jianyong Liu,* Panwang Zhou,* Chaoyang Zhang, Shuhui Yin, and Keli Han*, Unraveling the Mechanism of cyclo-N5-Production through Selective C-N Bond Cleavage of Arylpentazole with Ferrous Bisglycinate and m-Chloroperbenzonic Acid: A Theoretical Perspective. J. Phys. Chem. Lett. 2020, 11, 1030-1037. 2. Panwang Zhou,* Peng Li, Yanliang Zhao, and Keli Han, Restriction of Flip-flop Motion as a Mechanism for Aggregation-Induced Emission. J. Phys. Chem. Lett. 2019, 10, 6929-6935. 3. Guanghua Ren,# Runze Liu,# Panwang Zhou,* Chaoyang Zhang, Jianyong Liu,* Keli Han, Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-N5 production. Chem. Comm. 2019, 55, 2628-2631. 4. Panwang Zhou, Keli Han*, Unraveling the Detailed Mechanism of Excited-State Proton Transfer. Acc. Chem. Res. 2018, 51, 1681-1690. 5. Li Zhao, Jianyong Liu, Panwang Zhou,* The photoinduced isomerization mechanism of the 2-(1-(methylimino)methyl)-6-chlorophenol (SMAC): Nonadiabatic surface hopping dynamics simulations. J. Chem. Phys. 2018, 149, 034309. 6. Panwang Zhou, Mark. R. Hoffmann, Keli Han,* Guozhong He, New Insights into the Dual Fluorescence of Methyl Salicylate: Effects of Intermolecular Hydrogen Bonding and Solvation. J. Phys. Chem. B. 2015, 119, 2125-2131. |