Buscar por Autor Olivier, Yoann

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Acceso abierto2015_Moral_etal_JPhysChemC_final.pdf.jpg22-jul-2015Bis(arylene-ethynylene)-s-tetrazines: A Promising Family of n-Type Organic Semiconductors?Moral, Mónica; Garzón, Andrés; Olivier, Yoann, et al
Embargado2018_Olivier_etal_JPhysChemLett_final.pdf.jpg28-sep-2018Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges AheadOlivier, Yoann; Sancho-Garcia, Juan-Carlos; Muccioli, Luca, et al
Acceso abierto2015_Moral_etal_JCTC_final.pdf.jpg12-jun-2015Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED MaterialsMoral, Mónica; Son, W.-J.; Sancho-Garcia, Juan-Carlos, et al
Embargado2018_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
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 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 restringido2018_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 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