Buscar por Autor Adamo, Carlo

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Mostrando resultados 1 a 18 de 18
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Acceso abierto2013_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, et al
Acceso abierto2016_Bremond_etal_JCTC_rev.pdf.jpg5-ene-2016Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic MoleculesBrémond, Éric; Savarese, Marika; Su, Neil Qiang, et al
Embargado2018_Perez-Jimenez_etal_JChemPhys_final.pdf.jpg25-jul-2018Communication: Accurate description of interaction energies and three-body effects in weakly bound molecular complexes by PBE-QIDH modelsPérez-Jiménez, Ángel J.; Brémond, Éric; Adamo, Carlo, et al
Acceso abiertoJCP-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., et al
Acceso abierto2016_Sancho_etal_TheorChemAcc_rev.pdf.jpgene-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.
Acceso abierto2017_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, et al
Acceso abierto2015_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, et al
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, et al
Acceso abierto2013_Sancho_Adamo_PCCP_final.pdf.jpg18-jun-2013Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worldsSancho-Garcia, Juan-Carlos; Adamo, Carlo
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 abierto2015_Bousquet_etal_TheorChemAcc_final.pdf.jpgene-2015Non-parametrized functionals with empirical dispersion corrections: A happy match?Bousquet, Diane; Brémond, Éric; Sancho-Garcia, Juan-Carlos, et al
Acceso abierto2016_Bremond_etal_AccChemRes_rev.pdf.jpg5-ago-2016Nonempirical Double-Hybrid Functionals: An Effective Tool for ChemistsBrémond, Éric; Ciofini, Ilaria; 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
Embargado2018_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 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 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