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AccessPreviewIssue DateTitleAuthor(s)
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 access2015_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
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 access2016_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; Brémond, Éric; Adamo, Carlo
Open access2015_Wykes_etal_JChemPhys_final.pdf.jpg10-Jun-2015The diene isomerization energies dataset: A difficult test for double-hybrid density functionals?Wykes, Michael; Pérez-Jiménez, Ángel J.; Adamo, Carlo; Sancho-Garcia, Juan-Carlos
Open access2013_DiMeo_etal_JCP.pdf.jpg22-Oct-2013Application of recent double-hybrid density functionals to low-lying singlet-singlet excitation energies of large organic compoundsDi Meo, Florent; Trouillas, Patrick; Adamo, Carlo; Sancho-Garcia, Juan-Carlos
Open access2017_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.; Sancho-Garcia, Juan-Carlos; Adamo, Carlo
Open accessBremond_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.; Sancho-Garcia, Juan-Carlos; Adamo, Carlo
Open accessHernandez-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.; San-Fabián, Emilio; Adamo, Carlo; Sancho-Garcia, Juan-Carlos

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