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Acceso	Vista previa	Fecha de publicación	Título	Autor/es
		5-jul-2022	Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters─Properly Accounting for Electron Correlation Is Key!	Hall, David; Sancho-Garcia, Juan-Carlos; Pershin, Anton, et al
		27-dic-2017	Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence	Olivier, Yoann; Yurash, Brett; Muccioli, Luca, et al
		5-ene-2021	Negative Singlet–Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet Harvesting	Sanz-Rodrigo, Javier; Ricci, Gaetano; Olivier, Yoann, et al
		15-jun-2018	N‐doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescence	Graham, Christina; Moral, Mónica; Muccioli, Luca, et al
		23-may-2013	Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods	Sancho-Garcia, Juan-Carlos; Aragó March, Juan; Ortí Guillén, Enrique, et al
		1-oct-2021	peri-Acenoacene Molecules: Tuning of the Singlet and Triplet Excitation Energies by Modifying their Radical Character	Omist, Alicia; Ricci, Gaetano; Derradji, Amel, et al
		17-mar-2021	Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods	Ricci, Gaetano; San-Fabián, Emilio; Olivier, Yoann, et al
		2015	Theoretical Rationalization of the Singlet–Triplet Gap in OLEDs Materials: Impact of Charge-Transfer Character	Moral, Mónica; Muccioli, Luca; Son, W.-J., et al
		2-dic-2021	Violation of Hund's Rule in Molecules: Predicting the Excited-State Energy Inversion by TD-DFT with Double-Hybrid Methods	Sancho-Garcia, Juan-Carlos; Brémond, Éric; Ricci, Gaetano, et al

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