Geometry of Pyrazole: A Test for Ab Initio Calculations. - Antonio L. Llamas-Saiz; Concepción Foces-Foces; Otilia Mó; Manuel Yáñez; Eric Elguero; José Elguero (J. Comput. Chem., 1995)

Comparison of electron density properties in frozen and relaxed electronic distributions. - Ibon Alkorta; José Elguero; Enrique Espinosa; Ignasi Mata; Elies Molins (J. Comput. Chem., 2003)

Study of E/Z Isomerization in a Series of Novel Non-ligand Binding Pocket Androgen Receptor Antagonists. - Fernando Blanco; Billy Egan; Laura Caboni; José Elguero; John O'Brien; Thomas McCabe; Darren Fayne; Mary J. Meegan; David G. Lloyd (J. Chem. Inf. Model., 2012)

Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size. - Otilia Mó; M. Merced Montero-Campillo; Manuel Yáñez; Ibon Alkorta; José Elguero (J. Comput. Chem., 2024)

Hydride and halide abstraction reactions behind the enhanced basicity of Be and Mg clusters with nitrogen bases. - Manuel Yáñez; Otilia Mó; M. Merced Montero-Campillo; Ibon Alkorta; José Elguero (J. Comput. Chem., 2025)