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Buscar por Autor Sancho-Garcia, Juan-Carlos

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AccesoVista previaFecha de publicaciónTítuloAutor/es
Acceso abierto2019_Badia-Dominguez_etal_ACSOmega.pdf.jpg4-mar-2019Formation of Cyclophane Macrocycles in Carbazole-Based Biradicaloids: Impact of the Dicyanomethylene Substitution PositionBadía-Domínguez, Irene; Pérez-Guardiola, Andrés; Sancho-Garcia, Juan-Carlos, et al
Acceso abierto2019_Perez-Guardiola_etal_PhysChemChemPhys_final.pdf.jpg8-ene-2019From cyclic nanorings to single-walled carbon nanotubes: disclosing the evolution of their electronic structure with the help of theoretical methodsPérez-Guardiola, Andrés; Ortiz-Cano, Ricardo; Sandoval-Salinas, María Eugenia, et al
Acceso abiertoOrtiz_etal_2022_PhysRevMaterials.pdf.jpg19-ene-2022Frustrated magnetic interactions in a cyclacene crystalOrtiz-Cano, Ricardo; Sancho-Garcia, Juan-Carlos; Fernández-Rossier, Joaquín
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 abiertoDai_etal_2023_Chemistry.pdf.jpg11-mar-2023Impact of Di- and Poly-Radical Characters on the Relative Energy of the Doubly Excited and La States of Linear Acenes and CyclacenesDai, Yasi; Sancho-Garcia, Juan-Carlos; Negri, Fabrizia
Acceso abiertoMemories-Xarxes-I3CE-2017-18-120.pdf.jpg2018Implementación y evaluación del método POGIL en la facultad de CienciasLópez-Bernabeu, Sara; Molina Jaldo, Eva Violeta; Sancho-Garcia, Juan-Carlos, et al
Acceso abierto2016_Sancho_etal_JPhysChemA_final.pdf.jpg22-feb-2016Importance of Orbital Optimization for Double-Hybrid Density Functionals: Application of the OO-PBE-QIDH Model for Closed- and Open-Shell SystemsSancho-Garcia, Juan-Carlos; Pérez-Jiménez, Ángel J.; Savarese, Marika, et al
Acceso abierto2015_Climent_etal_ChemPhysChem_final.pdf.jpg18-may-2015Intra- and Intermolecular Dispersion Interactions in [n]Cycloparaphenylenes: Do They Influence Their Structural and Electronic Properties?Climent-Medina, José-Vicente; Pérez-Jiménez, Ángel J.; Moral, Mónica, et al
Acceso abiertoSalvitti_etal_2020_JPhysChemA_final.pdf.jpg10-abr-2020Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based MethodsSalvitti, Giovanna; Negri, Fabrizia; Pérez-Jiménez, Ángel J., et al
Acceso abierto2013_Bousquet_etal_JCTC_final.pdf.jpg20-jun-2013Is There Still Room for Parameter Free Double Hybrids? Performances of PBE0-DH and B2PLYP over Extended Benchmark SetsBousquet, Diane; Brémond, Éric; Sancho-Garcia, Juan-Carlos, et al
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
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