Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster. - Patricio González-Navarrete; Lourdes Gracia; Monica Calatayud; Juan Andrés (J. Comput. Chem., 2010)

Nature of the ring-closure process along the rearrangement of octa-1, 3, 5, 7-tetraene to cycloocta-1, 3, 5-triene from the perspective of the electron localization function and catastrophe theory. - Juan Andrés; Slawomir Berski; Luis R. Domingo; Patricio González-Navarrete (J. Comput. Chem., 2012)

Electronic fluxes during diels-alder reactions involving 1, 2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory. - Patricio González-Navarrete; Luis R. Domingo; Juan Andrés; Slawomir Berski; Bernard Silvi (J. Comput. Chem., 2012)