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

Fraiponts, MathiasMathiasFraipontsMaes, WouterWouterMaesChampagne, BenoitBenoitChampagne2025-07-272025-07-272025-JUN 21463-9076WOS:001531840600001https://imec-publications.be/handle/20.500.12860/45941Investigating XC-functionals towards describing experimentally relevant excited-state properties of NIR-BODIPY derivativesJournal article10.1039/d5cp01830gWOS:001531840600001GENERALIZED-GRADIENT-APPROXIMATIONCHARGE-TRANSFERPHOTODYNAMIC THERAPYOPTICAL SIGNATURESABSORPTION-SPECTRADENSITYDYESSPINENERGYPHOTOSENSITIZERSMEDLINE:40690199