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Acceso abiertoMishra_etal_2021_NatureChem_final.pdf.jpg10-may-2021Large magnetic exchange coupling in rhombus-shaped nanographenes with zigzag peripheryMishra, Shantanu; Yao, Xuelin; Chen, Qiang, et al
Acceso abiertoMemories-Xarxes-I3CE-2019-20_113.pdf.jpg2020Método POGIL como estrategia de aprendizaje grupal en asignaturas de cienciasSalinas-Torres, David; Montilla, Francisco; Navlani-García, Miriam, 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 abiertoMoral_etal_2020_JPhysChemA_final.pdf.jpg12-abr-2020Nature (Hole or Electron) of Charge-Transfer Ability of Substituted Cyclopyrenylene Hoop-Shaped CompoundsMoral, Mónica; Navarro, Amparo; Pérez-Jiménez, Ángel J., 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 abiertoMunoz-Marmol_etal_2021_AdvFunctMater.pdf.jpg16-jul-2021Near-Infrared Lasing in Four-Zigzag Edged Nanographenes by 1D versus 2D Electronic π-ConjugationMuñoz-Mármol, Rafael; Gordillo Gámez, Fernando; Bonal, Víctor, 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 abiertoSancho-Garcia_etal_2022_ElectronStruct_final.pdf.jpg28-oct-2022Non-empirical double-hybrid density functionals as reliable tools for electronic structure calculationsSancho-Garcia, Juan-Carlos; Brémond, Éric; Pérez-Jiménez, Ángel J., et al
Acceso abierto2015_Bousquet_etal_TheorChemAcc_final.pdf.jpgene-2015Non-parametrized functionals with empirical dispersion corrections: A happy match?Bousquet, Diane; Brémond, Éric; Sancho-Garcia, Juan-Carlos, et al
Acceso abiertoHernandez-Martinez_etal_2020_IntJQuantumChem_final.pdf.jpg5-jun-2020Nonempirical (double‐hybrid) density functionals applied to atomic excitation energies: A systematic basis set investigationHernández-Martínez, Laura; Brémond, Éric; Pérez-Jiménez, Ángel J., et al
Acceso abierto2016_Bremond_etal_AccChemRes_rev.pdf.jpg5-ago-2016Nonempirical Double-Hybrid Functionals: An Effective Tool for ChemistsBrémond, Éric; Ciofini, Ilaria; Sancho-Garcia, Juan-Carlos, et al
Acceso abierto2013_Arago_etal_JCTC_final.pdf.jpg10-jul-2013Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of Noncovalent InteractionsAragó March, Juan; Ortí Guillén, Enrique; Sancho-Garcia, Juan-Carlos
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 restringido2015_Bayach_etal_ChemAsianJ_final.pdf.jpgene-2015Oligostilbenoids from the Heartwood of N. Heimii: Role of Non-Covalent Association in their BiogenesisBayach, Imene; Manshoor, Nurhuda; Sancho-Garcia, Juan-Carlos, et al
Acceso restringido24-abr-2024On the shoulder of giantsSancho-Garcia, Juan-Carlos
Acceso abierto2015_Trouillas_etal_Tetrahedron_final.pdf.jpg20-may-2015Optical properties of wine pigments: theoretical guidelines with new methodological perspectivesTrouillas, Patrick; Di Meo, Florent; Gierschner, Johannes, et al
Acceso abierto2016_Moral_etal_JPhysChemC_final.pdf.jpg7-oct-2016Optoelectronic and Semiconducting Properties of Conjugated Polymers Composed of Thiazolo[5,4-d]thiazole and Arene Imides Linked by Ethynylene BridgesMoral, Mónica; Garzón, Andrés; Canales-Vázquez, Jesús, et al
Acceso abiertoSancho-Garcia_San-Fabian_2022_Computation.pdf.jpg18-ene-2022Organic Emitters Showing Excited-States Energy Inversion: An Assessment of MC-PDFT and Correlation Energy Functionals Beyond TD-DFTSancho-Garcia, Juan-Carlos; San-Fabián, Emilio
Acceso abiertoLi_etal_2021_RSCAdv.pdf.jpg29-jul-2021Pairing double hybrid functionals with a tailored basis set for an accurate thermochemistry of hydrocarbonsLi, Hanwei; Brémond, Éric; Sancho-Garcia, Juan-Carlos, et al
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