DFT study of the full catalytic cycle for the propene hydroformylation catalyzed by a heterobimetallic HPt(SnCl3)(PH3)2 model catalyst. - Júlio C. S. da Silva; Roberta P. Dias; Wagner B. De Almeida; Willian R. Rocha (J. Comput. Chem., 2010)

C–H bond activation of methane in aqueous solution: A hybrid quantum mechanical/effective fragment potential study. - Júlio C. S. da Silva; Willian R. Rocha (J. Comput. Chem., 2011)