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)

Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: The MEMPOT algorithm implemented in DelPhi. - Roberta P. Dias; Lin Li 003; Thereza A. Soares; Emil Alexov (J. Comput. Chem., 2014)