Relative stability of the 3A2, 1A2, and 1A1 states of phenylnitrene: A difference-dedicated configuration interaction calculation. - O. Castell; V. M. García; C. Bo; Rosa Caballol (J. Comput. Chem., 1996)

On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. - Núria Queralt; David Taratiel; Coen de Graaf; Rosa Caballol; Renzo Cimiraglia; Celestino Angeli (J. Comput. Chem., 2008)

Electronic structure and relative stability of 1: 1 Cu-O2 adducts from difference-dedicated configuration interaction calculations. - Jhon Zapata-Rivera; Rosa Caballol; Carmen Jiménez Calzado (J. Comput. Chem., 2011)

The role of macrocyclic ligands in the peroxo/superoxo nature of Ni-O2 biomimetic complexes. - Jhon Zapata-Rivera; Rosa Caballol; Carmen Jiménez Calzado (J. Comput. Chem., 2012)