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 catastr...

par Andrés, J
Publié dans: Journal of computational chemistry (2012)

Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster

par González-Navarrete, P
Publié dans: Journal of computational chemistry (2010)