Alder-ene reaction: Aromaticity and activation-strain analysis. - Israel Fernández; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2012)

Origin of the "endo rule" in Diels-Alder reactions. - Israel Fernández; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2014)

Controlling the oxidative addition of aryl halides to Au(I). - Israel Fernández; Lando P. Wolters; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2014)

Hydrogen bond-aromaticity cooperativity in self-assembling 4-pyridone chains. - Megha Anand; Israel Fernández; Henry F. Schaefer III; Judy I-Chia Wu (J. Comput. Chem., 2016)

Interplay between aromaticity and strain in double group transfer reactions to 1, 2-benzyne. - Israel Fernández; Fernando P. Cossío (J. Comput. Chem., 2016)

Bonding situation in isolable silver(I) carbonyl complexes of the Scorpionates. - Israel Fernández; Anurag Noonikara-Poyil; H. V. Rasika Dias (J. Comput. Chem., 2022)