Gaussian basis sets for ab initio calculation of NLO properties of polyatomic molecules. - Diego Paschoal; Marcello F. Costa; Georgia M. A. Junqueira; Hélio F. Dos Santos (J. Comput. Methods Sci. Eng., 2010)

The role of the basis set and the level of quantum mechanical theory in the prediction of the structure and reactivity of cisplatin. - Diego Paschoal; Bruna L. Marcial; Juliana Fedoce Lopes; Wagner B. De Almeida; Hélio F. Dos Santos (J. Comput. Chem., 2012)

Predicting Pt-195 NMR chemical shift using new relativistic all-electron basis set. - Diego Paschoal; Célia Fonseca Guerra; Marcone Augusto L. de Oliveira; Teodorico C. Ramalho; Hélio F. Dos Santos (J. Comput. Chem., 2016)