Transition metals to sulfur binding energies relationship to catalytic activities in HDS: back to Sabatier with first principle calculations1This work has been undertaken within the “GdR Dynamique Moléculaire Quantique Appliquée à la Catalyse”, a joint project of Centre National de la Recherche Scientifique, Technische Universität Wien, and Institut Français du Pétrole.1

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