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AccesoVista previaFecha de publicaciónTítuloAutor/es
Acceso abiertoTirri_etal_2020_IntJQuantumChem_final.pdf.jpg1-jul-2020Computation of covalent and noncovalent structural parameters at low computational cost: Efficiency of the DH‐SVPD methodTirri, Bernardino; Ciofini, Ilaria; Sancho-Garcia, Juan-Carlos; Adamo, Carlo; Brémond, Éric
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.; San-Fabián, Emilio; Casanova, David; Sancho-Garcia, Juan-Carlos
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; Pérez-Jiménez, Ángel J.; San-Fabián, Emilio; Olivier, Yoann; Sancho-Garcia, Juan-Carlos
Acceso restringidoLi_etal_2021_JOrgChem_final.pdf.jpg6-abr-2021Beyond Chemical Accuracy for Alkane Thermochemistry: The DHthermo ApproachLi, Hanwei; Tirri, Bernardino; Brémond, Éric; Sancho-Garcia, Juan-Carlos; Adamo, Carlo
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; Villalvilla, José M.; Boj, Pedro G.; Quintana, José A.; Ross, Aaron M.; Paternò, Giuseppe M.; Scotognella, Francesco; Lanzani, Guglielmo; Derradji, Amel; Sancho-Garcia, Juan-Carlos; Gu, Yanwei; Wu, Jishan; Casado, Juan; Díaz-García, María A.
Acceso abiertoBremond_etal_2020_JChemPhys_final.pdf.jpg26-jun-2020Range-separated hybrid and double-hybrid density functionals: A quest for the determination of the range-separation parameterBrémond, Éric; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos; Adamo, Carlo
Acceso abiertoSancho-Garcia_Ivorra_2022_Sociologia-y-Tecnociencia.pdf.jpg11-sep-2022The role of technology as driving force of the social changeSancho-Garcia, Juan-Carlos; Ivorra Alemañy, Adrián
Acceso abiertoBadia-Dominguez_etal_2022_JPhysChemLett.pdf.jpg23-jun-2022Tuning the Diradical Character of Indolocarbazoles: Impact of Structural Isomerism and Substitution PositionBadía-Domínguez, Irene; Canola, Sofia; Hernández Jolín, Víctor; López Navarrete, Juan T.; Sancho-Garcia, Juan-Carlos; Negri, Fabrizia; Ruiz Delgado, M. Carmen
Acceso abiertoBremond_etal_2022_PhysChemChemPhys_accepted.pdf.jpg20-ene-2022Stability of the Polyynic Form of C18, C22, C26, and C30 Nanorings: A Challenge Tackled by Range-Separated Double-Hybrid Density FunctionalsBrémond, Éric; Pérez-Jiménez, Ángel J.; Adamo, Carlo; Sancho-Garcia, Juan-Carlos
EmbargadoOlivier_Sancho-Garcia_2023_AngewChemIntEd_accepted.pdf.jpg14-jul-2023Design Strategies for Diradical Boron/Nitrogen Doped Carbon-Based MaterialsOlivier, Yoann; Sancho-Garcia, Juan-Carlos

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