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Issue Date
Title
Author(s)
2-May-2012
Application of double-hybrid density functionals to charge-transfer in N-substituted pentacenequinones
Sancho-Garcia, Juan-Carlos
5-Aug-2016
Nonempirical Double-Hybrid Functionals: An Effective Tool for Chemists
Brémond, Éric
;
Ciofini, Ilaria
;
Sancho-Garcia, Juan-Carlos
;
Adamo, Carlo
10-Jul-2013
Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of Noncovalent Interactions
Aragó March, Juan
;
Ortí Guillén, Enrique
;
Sancho-Garcia, Juan-Carlos
17-Jul-2014
Communication: Double-hybrid functionals from adiabatic-connection:The QIDH model
Brémond, Éric
;
Sancho-Garcia, Juan-Carlos
;
Pérez-Jiménez, Ángel J.
;
Adamo, Carlo
18-Jun-2013
Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worlds
Sancho-Garcia, Juan-Carlos
;
Adamo, Carlo
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
;
Adamo, Carlo
23-Jan-2023
Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions
Sandoval-Salinas, María Eugenia
;
Brémond, Éric
;
Pérez-Jiménez, Ángel J.
;
Adamo, Carlo
;
Sancho-Garcia, Juan-Carlos
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Author
7
Sancho-Garcia, Juan-Carlos
5
Adamo, Carlo
4
Brémond, Éric
2
Ciofini, Ilaria
2
Pérez-Jiménez, Ángel J.
.
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Subject
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Adiabatic-connection
1
Charge transfer processes
1
Computational chemistry
1
Density functional theory
1
Excitation energies
.
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Date issued
1
2020 - 2023
6
2012 - 2019
Document type
7
Article
Language
7
English
Center, unit or service
7
Universidad de Alicante. Departam...