Régis T. Santiago

Orbital Signatures as a Descriptor of Regioselectivity and Chemical Reactivity: The Role of the Frontier Orbitals on 1,3-Dipolar Cycloadditions

Felipe A. La Porta, Teodorico C. Ramalho, Régis T. Santiago et al. · The Journal of Physical Chemistry A · 2011 · 65 citations

Chemical Bonds, Engineering, Heterocyclic +15

Methane Dehydrogenation by Niobium Ions: A First-Principles Study of the Gas-Phase Catalytic Reactions

K. J. de Almeida, Teodorico C. Ramalho, J.L. Neto et al. · Organometallics · 2013 · 28 citations

Chemical Kinetics, Engineering, Niobium Reactions +19

The role of the Frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniques

Felipe A. La Porta, Régis T. Santiago, Teodorico C. Ramalho et al. · International Journal of Quantum Chemistry · 2010 · 20 citations

Engineering, Theoretical Inorganic Chemistry, Organic Amines +16

How computational methods and relativistic effects influence the study of chemical reactions involving Ru‐NO complexes?

Renato P. Orenha, Régis T. Santiago, Roberto L. A. Haiduke et al. · Journal of Computational Chemistry · 2017 · 19 citations

The nuclear electric quadrupole moment of copper

Régis T. Santiago, Tiago Quevedo Teodoro, Roberto L. A. Haiduke · Physical Chemistry Chemical Physics · 2014 · 16 citations · Full text