Publicaciones en colaboración con investigadores/as de Institute for Particle and Nuclear Physics (2)

2023

  1. Benchmarking DFT Functionals for Excited-State Calculations of Donor−Acceptor TADF Emitters: Insights on the Key Parameters Determining Reverse Inter-System Crossing

    Journal of Physical Chemistry A, Vol. 127, Núm. 21, pp. 4743-4757

2022

  1. Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters─Properly Accounting for Electron Correlation Is Key!

    Journal of chemical theory and computation, Vol. 18, Núm. 8, pp. 4903-4918