DFT study of the sulfidation pretreatment of molybdenum carbides in the hydrodechlorination reaction of chlorobenzene. - Milagros Velásquez; Alba B. Vidal; Anelisse Bastardo; Raquel del Toro; Jesús Rodríguez; Rafael Añez; Paulino Betancourt; Joaquín L. Brito; Yosslen Aray; David Santiago Coll (J. Comput. Methods Sci. Eng., 2014)