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AccesoVista previaFecha de publicaciónTítuloAutor/es
Acceso abierto2015_Calbo_etal_JCTC_final.pdf.jpg2015Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Nonlocal van der Waals CorrectionsCalbo, Joaquín; Ortí Guillén, Enrique; Sancho-Garcia, Juan-Carlos; Aragó March, Juan
Acceso abierto2015_Wykes_etal_JCTC_final.pdf.jpg2015Double Hybrid Functionals and the Π-System Bond Length Alternation Challenge: Rivaling Accuracy of Post-HF MethodsWykes, Michael; Su, Neil Qiang; Xu, Xin; Adamo, Carlo; Sancho-Garcia, Juan-Carlos
Acceso abierto2015_Bremond_etal_JPCL_final.pdf.jpg2015Systematic Improvement of Density Functionals through Parameter-Free Hybridization SchemesBrémond, Éric; Savarese, Marika; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos; Adamo, Carlo
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 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; Ciofini, Ilaria; Adamo, Carlo
Acceso abierto2016_Bremond_etal_JChemPhys.pdf.jpg22-mar-2016Quadratic integrand double-hybrid made spin-component-scaledBrémond, Éric; Savarese, Marika; Sancho-Garcia, Juan-Carlos; Pérez-Jiménez, Ángel J.; Adamo, Carlo
Acceso abierto2016_Trouillas_etal_ChemRev.pdf.jpg9-mar-2016Stabilizing and Modulating Color by Copigmentation: Insights from Theory and ExperimentTrouillas, Patrick; Sancho-Garcia, Juan-Carlos; De Freitas, Victor; Gierschner, Johannes; Otyepka, Michal; Dangles, Olivier
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; Sancho-Garcia, Juan-Carlos
Acceso abierto2018_Reche-Tamayo_etal_ChemPhysLett_final.pdf.jpgabr-2018Reactivity of cycloparaphenylenes: Studying the possible growth of single-walled carbon nanotubes with DFT methodsReche Tamayo, Manuel; Pérez-Guardiola, Andrés; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos
Acceso abierto2016_Moral_etal_JPhysChemC_rev.pdf.jpg7-sep-2016Theoretical Study of Cyclic Pyrene Oligomers and Their Resemblance with Cyclic Paraphenylenes: Disclosing Structure–Property Relationships for Cyclic NanoringsMoral, Mónica; Pérez-Guardiola, Andrés; San-Fabián, Emilio; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos

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