Buscar por Autor Ricci, Gaetano

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Acceso abiertoSandoval-Salinas_etal_2023_PhysChemChemPhys.pdf.jpg14-jul-2023Correlation vs. exchange competition drive the singlet-triplet excited-state inversion in non-alternant hydrocarbonsSandoval-Salinas, María Eugenia; Ricci, Gaetano; Pérez-Jiménez, Ángel J., et al
Acceso abiertoRicci_etal_2022_JMaterChemC_accepted.pdf.jpg28-jul-2022Establishing design strategies for emissive materials with inverted singlet-triplet energy gap (INVEST): A computational perspective on how symmetry rules the interplay between triplet harvesting and light emissionRicci, Gaetano; Sancho-Garcia, Juan-Carlos; Olivier, Yoann
Acceso abiertoHall_etal_2022_JChemTheoryComput_final.pdf.jpg5-jul-2022Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters─Properly Accounting for Electron Correlation Is Key!Hall, David; Sancho-Garcia, Juan-Carlos; Pershin, Anton, et al
Acceso abiertoSanz-Rodrigo_etal_2021_JPhysChemA_preprint.pdf.jpg5-ene-2021Negative Singlet–Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet HarvestingSanz-Rodrigo, Javier; Ricci, Gaetano; Olivier, Yoann, et al
Acceso abiertoOmist_etal_2021_PhysChemChemPhys_accepted.pdf.jpg1-oct-2021peri-Acenoacene Molecules: Tuning of the Singlet and Triplet Excitation Energies by Modifying their Radical CharacterOmist, Alicia; Ricci, Gaetano; Derradji, Amel, et al
Acceso abiertoRicci_etal_2021_ChemPhysChem_final.pdf.jpg17-mar-2021Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio MethodsRicci, Gaetano; San-Fabián, Emilio; Olivier, Yoann, et al
Acceso abiertoSancho-Garcia_etal_2021_JChemPhys_accepted.pdf.jpg2-dic-2021Violation of Hund's Rule in Molecules: Predicting the Excited-State Energy Inversion by TD-DFT with Double-Hybrid MethodsSancho-Garcia, Juan-Carlos; Brémond, Éric; Ricci, Gaetano, et al