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AccessPreviewIssue DateTitleAuthor(s)
Open access2016_Sancho_etal_TheorChemAcc_rev.pdf.jpgJan-2016Describing excited states of [n]cycloparaphenylenes by hybrid and double-hybrid density functionals: from isolated to weakly interacting moleculesSancho-Garcia, Juan-Carlos; Adamo, Carlo; Pérez-Jiménez, Ángel J.
Open access2017_Sancho_etal_JComputChem_final.pdf.jpg30-Jun-2017Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionalsSancho-Garcia, Juan-Carlos; Pérez-Jiménez, Ángel J.; Savarese, Marika; Brémond, Éric; Adamo, Carlo
Open access2016_Bremond_etal_AccChemRes_rev.pdf.jpg5-Aug-2016Nonempirical Double-Hybrid Functionals: An Effective Tool for ChemistsBrémond, Éric; Ciofini, Ilaria; Sancho-Garcia, Juan-Carlos; Adamo, Carlo
Open access2015_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
Open access2015_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
Open access2013_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
Open access2016_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
Open access2016_Bremond_etal_JCTC_rev.pdf.jpg5-Jan-2016Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic MoleculesBrémond, Éric; Savarese, Marika; Su, Neil Qiang; Pérez-Jiménez, Ángel J.; Xu, Xin; Sancho-Garcia, Juan-Carlos; Adamo, Carlo
Open access2017_Sancho_etal_PhysChemChemPhys_final.pdf.jpg7-Jun-2017Partnering dispersion corrections with modern parameter-free double-hybrid density functionalsSancho-Garcia, Juan-Carlos; Brémond, Éric; Savarese, Marika; Pérez-Jiménez, Ángel J.; Adamo, Carlo
Open accessJCP-141-2014-031101.pdf.jpg17-Jul-2014Communication: Double-hybrid functionals from adiabatic-connection:The QIDH modelBrémond, Éric; Sancho-Garcia, Juan-Carlos; Pérez-Jiménez, Ángel J.; Adamo, Carlo