Ángel José Pérez-Jiménez

22PUBLICATIONS
23CO-AUTHORS
Organic semiconductorsTheoretical quantum chemistryRadiation and matterStatistical mechanics in chemistryTheory and design of materials
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Publications (22)

|Jul 16, 2026
(SOS1-)PBE-DH-INVEST double hybrid functionals for INVEST systems: Validation for azaphenalene compounds.

|Jan 28, 2026
Contemporary DFT: learning from traditional and recent trends for the development and assessment of accurate exchange-correlation functionals.

E Brémond, A J Pérez-Jiménez, C Adamo

|Dec 31, 2025
Accuracy and Scaling Factors of Non-Empirical Double-Hybrid Density Functionals for Harmonic and Fundamental Frequencies (And ZPVE).

B Miguel, E Brémond, A J Pérez-Jiménez

|Nov 03, 2025
Singlet-Triplet Gap in Covalently and Weakly Bound Carbenes: Studying the Dependence on the Exchange-Correlation Functional.

Pablo Maiz-Pastor, Éric Brémond, Ángel José Pérez-Jiménez

|Feb 11, 2025
Functionalization of Clar's Goblet Diradical with Heteroatoms: Tuning the Excited-State Energies to Promote Triplet-to-Singlet Conversion.

Amel Derradji, María Eugenia Sandoval-Salinas, Gaetano Ricci

|Sep 11, 2024
Study of Sterically Crowded Alkanes: Assessment of Non-Empirical Density Functionals Including Double-Hybrid (Cost-Effective) Methods.

P Maiz-Pastor, E Brémond, A J Pérez-Jiménez

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Frequent Collaborators

22 joint publications

Juan Carlos Sancho-García

12 joint publications

Carlo Adamo

12 joint publications

Éric Brémond

4 joint publications

Emilio San-Fabián