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Peerj. Computer Science|April 25, 2024
A detailed study of resampling algorithms for cyberattack classification in engineering applicationsÓscar Mogollón Gutiérrez, José Carlos Sancho Núñez, Mar Ávila, et al.The Journal of Physical Chemistry. A|November 27, 2023
Computational Design of Multiple Resonance-Type BN Molecules for Inverted Singlet and Triplet Excited StatesYong-Jin Pu, Danillo Valverde, Juan Carlos Sancho-García, et al.The Journal of Physical Chemistry. B|January 16, 2009
Modeling the dynamics of chromophores in conjugated polymers: the case of poly(2-methoxy-5-(2'-ethylhexyl)oxy 1,4-phenylene vinylene) (MEH-PPV)Caroline De Leener, Emmanuelle Hennebicq, Juan-Carlos Sancho-Garcia, et al.Journal of Chemical Theory and Computation|November 24, 2015
Highlights on Anthocyanin Pigmentation and Copigmentation: A Matter of Flavonoid π-Stacking Complexation To Be Described by DFT-DFlorent Di Meo, Juan Carlos Sancho Garcia, Olivier Dangles, et al.Journal of Molecular Modeling|October 27, 2015
Unraveling the performance of dispersion-corrected functionals for the accurate description of weakly bound natural polyphenolsFlorent Di Meo, Imene Bayach, Patrick Trouillas, et al.The Journal of Chemical Physics|July 3, 2020
Range-separated hybrid and double-hybrid density functionals: A quest for the determination of the range-separation parameterÉric Brémond, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García, et al.The Journal of Chemical Physics|December 12, 2019
sp-hybridized carbon allotrope molecular structures: An ongoing challenge for density-functional approximationsÉric Brémond, Ángel José Pérez-Jiménez, Carlo Adamo, et al.Journal of Chemical Theory and Computation|March 1, 2025
Can ΔSCF and ROKS DFT-Based Methods Predict the Inversion of the Singlet-Triplet Gap in Organic Molecules?Danillo Valverde, Gaetano Ricci, Juan Carlos Sancho-García, et al.The Journal of Chemical Physics|June 3, 2019
Range-separated hybrid density functionals made simpleÉric Brémond, Ángel José Pérez-Jiménez, Juan Carlos Sancho-García, et al.The Journal of Organic Chemistry|April 6, 2021
Beyond Chemical Accuracy for Alkane Thermochemistry: The DH<i>thermo</i> ApproachHanwei Li, Bernardino Tirri, Eric Brémond, et al.Pageof 7