DFT study of the sulfidation pretreatment of molybdenum carbides in the hydrodechlorination reaction of chlorobenzene.
Milagros VelásquezAlba B. VidalAnelisse BastardoRaquel del ToroJesús RodríguezRafael AñezPaulino BetancourtJoaquín L. BritoYosslen ArayDavid Santiago CollPublished in: J. Comput. Methods Sci. Eng. (2014)