科研成果 |
已累计参与发表SCI论文20余篇,例如: (1) Xin Xin, Shi Wei, Zhao Yu, et al. Manipulating the ESPT process and photophysical properties of HQCT by water-based hydrogen bond bridge[J]. Journal of Molecular Liquids, 2023, 391: 123275. (2) Xin Xin, Shi Wei, Zhao Yu, et al. Effectively regulation of the ESIPT process via ring-annelation modification for schiff base derivatives: A theoretical study[J]. Dyes and Pigments, 2024, 224: 112020. (3) Xin Xin, Zhao Yu, Shi Wei, et al. Effects of twisted intramolecular charge transfer behavior on excited-state intramolecular proton transfer reactions of methyl benzoate derivatives in water solution[J]. The Journal of Physical Chemistry A, 2022, 126: 5126-5133. (4) Xin Xin, Shi Wei, Jia Rulin, et al. A theoretical elucidation of the role of explicit solvent in the excited-state double proton transfer process for 2, 4-Bisimidazolylphenol[J]. Journal of Molecular Structure, 2024, 1318: 139328. (5) Xin Xin, Shi Wei, Zhao Yu, et al. Theoretical insights into the excited-state single and double proton transfer processes of DEASH in water[J]. Chemical Physics, 2023, 570: 111882. (6) Xin Xin, Niu Xiao, Liu Wanqi, et al. Hybrid Solvation Model with First Solvation Shell for Calculation of Solvation Free Energy[J]. ChemPhysChem, 2020, 21: 762-769. (7) Xin Xin, Li Chen, Gao Delu, et al. Catalytic Descriptors to Investigate Catalytic Power in the Reaction of Haloalkane Dehalogenase Enzyme with 1,2-Dichloroethane[J]. International Journal of Molecular Sciences, 2021, 22: 5854. (8) Li Chen‡, Xin Xin‡(共同一作), Wang Dunyou. Theoretical investigation of the SN2 mechanism of X−[X=SH, PH2]+CH3Y [Y= F, Cl, Br, I] reactions in water[J]. Physical Chemistry Chemical Physics, 2021, 23: 23267-23273. (9) Gao Delu, Xin Xin, Wang Dunyou, et al. Theoretical dynamics studies of the CH3+HBr→CH4+Br reaction: integral cross sections, rate constants and microscopic mechanism[J]. Physical Chemistry Chemical Physics, 2022, 24: 10548-10560. (10) Zhao Guijie, Shi Wei, Xin Xin, et al. Exploring the excited state multi-proton transfer path and the associated photophysical properties of P-TNS molecule by DFT and TDDFT theory[J]. Journal of Luminescence, 2024, 266: 120305. (11) Qiao Tiantian, Shi Wei, Xin Xin, et al. Regulating the excited-state intramolecular dual proton transfer process and multiple fluorescence of 2,5-bis (4, 5-diphenyl-1H-imidazol-2-yl) benzene-1,4-diol by expanding π-conjugation[J]. Journal of Luminescence, 2025, 281: 121171. (12) Zhao Guijie, Shi Wei, Xin Xin, et al. Insights from computational analysis: Excited-state hydrogen-bonding interactions and ESIPT processes in phenothiazine derivatives[J]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2023, 286: 121935. |