-Present:

Editor of the Spectrochimica Acta A:Molecular and Biomolecular Spectroscopy.  http://www.journals.elsevier.com/spectrochimica-acta-part-a-molecular-an...

Editorial Board of the International Journal of Quantum Chemistry

Editorial Board of the Advances in Physical Chemistry (online journal)

Editorial Advisory Board of the Current Physical Chemistry (online journal)

International Scientific Advisory Board of the Journal of the Argentine Chemical Society,

-Past:

Editorial Board of the Chemical Physics Letters (2003-2009)

Specialist Editor of the Computer Physics Communications (1987-1990, 2002-2006)

Associate Editor of the Brazilian Journal of Physics (2000-2009).

-Editor of the Books:

Solvation Methods on Molecules and Biomolecules. Computational Methods and Applications. Springer, 2008. ISBN: 978-1-4020-8269-6; e- ISBN: 978-1-4020-8270-2.

Electronic Structure of Atoms, Molecules and Solids. Proceedings of the 2nd Brazilian School on Electronic Structure. J. D'A. Castro, S. Canuto and F. Paixao. World Scientific, 1990.

I Escola Brasileira de Estrutura Eletrônica, Ed. Universidade de Brasília (1989), 587 pages (in portuguese).

-Guest Editor of the Special issues:

Guest editor of the Advances in Quantum Chemistry, vol. 59, pp. 1-416 (2010)

Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods. ISBN: 978-0-12-380898-1, ISSN: 0065-3276.

Editor (with Helio Duarte) of the International Journal of Quantum Chemistry, XVI Brazilian Symposium of Theoretical Chemistry, vol. 112, issues 19-20, (2012).

International Journal of Quantum Chemistry, Vol. 108, issue 13, pp 2305-2627 (2008). (with Carlos E. Bielschowsky)

International Journal of Quantum Chemistry, Vol. 106, issue 13, pp 2551-2817 (2006). (with A. Arnobio da Gama)

International Journal of Quantum Chemistry, Vol. 103, issue 5, pp 471 - 774 (2005). (with Erkki Brändas and Rogério Custodio)

Journal of Molecular Structure – Theochem, Vol. 464, issue 1-3, pp 1-304 (1999) (with Y. Smeyers)

Brazilian journal of Physics, Vol. 34, issue 1, pp. 1-148 (2004). (with Marcia C. Barbosa)

Brazilian journal of Physics, Vol. 24, issue 4, pp. 931-976 (1994). (with Adalberto Fazzio)