Dynamic covalent bond from first principles: Diarylbibenzofuranone structural, electronic, and oxidation studies. - Gabriel R. Schleder; Adalberto Fazzio; Jeverson T. Arantes (J. Comput. Chem., 2017)

Ab Initio Simulations and Materials Chemistry in the Age of Big Data. - Gabriel Ravanhani Schleder; Antonio Claudio M. Padilha; Alexandre Reily Rocha; Gustavo Martini Dalpian; Adalberto Fazzio (J. Chem. Inf. Model., 2020)