Pyrrolizidine alkaloids necine bases: Ab initio, semiempirical, and molecular mechanics approaches to molecular properties. - Marcelo Giordan; Rogério Custodio; José Roberto Trigo (J. Comput. Chem., 1996)

The correlation of proton affinities with atomic charges and electronegativities for the group 14 to 17 hydrides. - Hermes F. de Souza; Paulo H. Guadagnini; Rogério Custodio; John D. Goddard (J. Comput. Chem., 2000)

Exact Gaussian expansions of Slater-type atomic orbitals. - André Severo Pereira Gomes; Rogério Custodio (J. Comput. Chem., 2002)

Analysis of the segmented contraction of basis functions using density matrix theory. - Rogério Custodio; André Severo Pereira Gomes; Fabrício Ronil Sensato; Júlio Murilo dos Santos Trevas (J. Comput. Chem., 2006)