Buscar por Autor Ciofini, Ilaria
Mostrando resultados 1 a 7 de 7
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Acceso | Vista previa | Fecha de publicación | Título | Autor/es |
| | 30-may-2021 | Assessing challenging intra‐ and inter‐molecular charge‐transfer excitations energies with double‐hybrid density functionals | Brémond, Éric; Ottochian, Alistar; Pérez-Jiménez, Ángel J., et al |
| | 1-jul-2020 | Computation of covalent and noncovalent structural parameters at low computational cost: Efficiency of the DH‐SVPD method | Tirri, Bernardino; Ciofini, Ilaria; Sancho-Garcia, Juan-Carlos, et al |
| | 9-oct-2019 | Double-Hybrid Functionals and Tailored Basis Set: Fullerene (C60) Dimer and Isomers as Test Cases | Brémond, Éric; Ciofini, Ilaria; Sancho-Garcia, Juan-Carlos, et al |
| | 20-jun-2013 | Is There Still Room for Parameter Free Double Hybrids? Performances of PBE0-DH and B2PLYP over Extended Benchmark Sets | Bousquet, Diane; Brémond, Éric; Sancho-Garcia, Juan-Carlos, et al |
| | 28-oct-2022 | Non-empirical double-hybrid density functionals as reliable tools for electronic structure calculations | Sancho-Garcia, Juan-Carlos; Brémond, Éric; Pérez-Jiménez, Ángel J., et al |
| | ene-2015 | Non-parametrized functionals with empirical dispersion corrections: A happy match? | Bousquet, Diane; Brémond, Éric; Sancho-Garcia, Juan-Carlos, et al |
| | 5-ago-2016 | Nonempirical Double-Hybrid Functionals: An Effective Tool for Chemists | Brémond, Éric; Ciofini, Ilaria; Sancho-Garcia, Juan-Carlos, et al |