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AccessPreviewIssue DateTitleAuthor(s)
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 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 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.jpgJan-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-Aug-2016Nonempirical Double-Hybrid Functionals: An Effective Tool for ChemistsBrémond, Éric; Ciofini, Ilaria; Sancho-Garcia, Juan-Carlos, et al
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
Acceso abierto2017_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, et al
Acceso abierto2016_Bremond_etal_JChemPhys.pdf.jpg22-Mar-2016Quadratic integrand double-hybrid made spin-component-scaledBrémond, Éric; Savarese, Marika; Sancho-Garcia, Juan-Carlos, et al
Acceso abierto2018_Bremond_etal_JChemTheoryComput_final.pdf.jpg20-Jun-2018Range-Separated Double-Hybrid Functional from Nonempirical ConstraintsBrémond, Éric; Savarese, Marika; Pérez-Jiménez, Ángel J., et al
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, et al
Acceso abierto2019_Bremond_etal_JChemPhys_final.pdf.jpg28-May-2019Range-separated hybrid density functionals made simpleBrémond, Éric; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos, et al
EmbargadoBremond_etal_2023_JChemPhys.pdf.jpg15-Dec-2023SOS1-RSX-QIDH: A spin-opposite-scaled range-separated-exchange quadratic-integrand double-hybrid density functionalBrémond, Éric; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos, et al
Acceso abierto2019_Bremond_etal_JChemPhys.pdf.jpg4-Dec-2019sp-hybridized carbon allotrope molecular structures: An ongoing challenge for density-functional approximationsBrémond, Éric; Pérez-Jiménez, Ángel J.; Adamo, Carlo, et al
Acceso abierto2017_Bremond_etal_JChemTheoryComput_revised.pdf.jpg4-Oct-2017Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test CasesBrémond, Éric; Savarese, Marika; Pérez-Jiménez, Ángel J., et al
Acceso abiertoBremond_etal_2022_PhysChemChemPhys_accepted.pdf.jpg20-Jan-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, et al
Acceso abierto2015_Bremond_etal_JPCL_final.pdf.jpg2015Systematic Improvement of Density Functionals through Parameter-Free Hybridization SchemesBrémond, Éric; Savarese, Marika; Pérez-Jiménez, Ángel J., et al
Acceso abiertoBremond_etal_2022_JChemPhys_final.pdf.jpg5-Apr-2022Tackling an accurate description of molecular reactivity with double-hybrid density functionalsBrémond, Éric; Li, Hanwei; Pérez-Jiménez, Ángel J., et al
Acceso abiertoSancho-Garcia_etal_2021_JChemPhys_accepted.pdf.jpg2-Dec-2021Violation of Hund's Rule in Molecules: Predicting the Excited-State Energy Inversion by TD-DFT with Double-Hybrid MethodsSancho-Garcia, Juan-Carlos; Brémond, Éric; Ricci, Gaetano, et al
Showing results 19 to 37 of 37 < previous