Investigating XC-functionals towards describing experimentally relevant excited-state properties of NIR-BODIPY

Mathias Fraiponts1,2,3, Wouter Maes2,3, Benoît Champagne1

  • 1University of Namur, Laboratory of Theoretical Chemistry, Theoretical and Structural Physical Chemistry Unit, Namur Institute of Structured Matter, Rue de Bruxelles 61, 5000, Namur, Belgium. benoit.champagne@unamur.be.

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