Marília J. Caldas

Application of standard DFT theory for nonbonded interactions in soft matter: Prototype study of poly‐para‐phenylene

Marcelo Alves-Santos, Liliana Y. A. Dávila, Helena M. Petrilli, 2006, J. Comput. Chem..

Applicability of MNDO techniques AM1 and PM3 to ring‐structured polymers

Liliana Y. A. Dávila, Marília J. Caldas, M. J. Caldas, 2002, J. Comput. Chem..