Research outputs
2026
High-throughput virtual screening for organic electronics: From energy levels to advanced properties and physical insight
Wu, X., Tegner, B., & Troisi, A. (2026). High-throughput virtual screening for organic electronics: From energy levels to advanced properties and physical insight. Chemical Physics Reviews, 7(2). doi:10.1063/5.0293502
2024
Calibration of several first excited state properties for organic molecules through systematic comparison of TDDFT with experimental spectra
Wu, X., Xie, X., & Troisi, A. (2024). Calibration of several first excited state properties for organic molecules through systematic comparison of TDDFT with experimental spectra. Journal of Materials Chemistry C, 12(46), 18886-18892. doi:10.1039/d4tc03511a
2023
Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives
Chanmungkalakul, S., Huang, S., Wu, X., Ang, E. C. X., Yang, Z. -Q., Li, Y., . . . Liu, X. (2023). Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical Chemistry Chemical Physics, 25(15), 10599-10603. doi:10.1039/d3cp00123g