1. RUA

Buscar por Autor Olivier, Yoann

Ir a: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
 
Mostrando resultados 8 a 22 de 22 < anterior 
Items
AccesoVista previaFecha de publicaciónTítuloAutor/es
Acceso abierto2018_Wong_etal_ACSApplMaterInterfaces_final.pdf.jpg7-sep-2018Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting DiodesWong, Michael Y.; Krotkus, Simonas; Copley, Graeme, et al
EmbargadoOlivier_Sancho-Garcia_2023_AngewChemIntEd_accepted.pdf.jpg14-jul-2023Design Strategies for Diradical Boron/Nitrogen Doped Carbon-Based MaterialsOlivier, Yoann; Sancho-Garcia, Juan-Carlos
Acceso abierto2015_Sancho_etal_JChemPhys_final.pdf.jpg3-feb-2015Determining the cohesive energy of coronene by dispersion-corrected DFT methods: Periodic boundary conditions vs. molecular pairsSancho-Garcia, Juan-Carlos; Pérez-Jiménez, Ángel J.; Olivier, Yoann
Acceso abierto2017_Olivier_etal_JMaterChemC_final.pdf.jpg2017Dynamic nature of excited states of donor–acceptor TADF materials for OLEDs: how theory can reveal structure–property relationshipsOlivier, Yoann; Moral, Mónica; Muccioli, Luca, 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 abierto2019_Pershin_etal_NatureComm.pdf.jpg5-feb-2019Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent moleculesPershin, Anton; Hall, David; Lemaur, Vincent, et al
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 abierto2017_Olivier_etal_PhysRevMaterials.pdf.jpg27-dic-2017Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescenceOlivier, Yoann; Yurash, Brett; Muccioli, Luca, 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 abierto2018_Graham_etal_IntJQuantumChem_final.pdf.jpg15-jun-2018N‐doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescenceGraham, Christina; Moral, Mónica; Muccioli, Luca, et al
Acceso abierto2013_Sancho_etal_JCP_final.pdf.jpg23-may-2013Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methodsSancho-Garcia, Juan-Carlos; Aragó March, Juan; Ortí Guillén, Enrique, 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 abierto2015_Moral_etal_JCTC_final.pdf.jpg2015Theoretical Rationalization of the Singlet–Triplet Gap in OLEDs Materials: Impact of Charge-Transfer CharacterMoral, Mónica; Muccioli, Luca; Son, W.-J., 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
Mostrando resultados 8 a 22 de 22 < anterior