Our main interest is related with the use of theoretical methods, ab initio and DFT, to study electronic structure, weak interactions, reactivity, physical properties, and the nature of chemical bonds in molecules, including organic and organometallic compounds, transition metal complexes, supramolecular structures, and others. For that, DFT and ab initio methods are employed in conjuntion with effective core potentials and relativistic corrections for transition metals. Some analyses that we use are: Natural Bond Orbitals (NBO), Quantum Theory of Atoms in Molecules (QTAIM), Electron Localization Function (ELF), Harmonic Oscillator Model of Aromaticity (HOMA), Nucleus Independent Chemical Shift (NICS), Anisotropy of the Current-Induced Density, (ACID), Energy Decomposition Analysis (EDA), Charge Decomposition Analysis (CDA), and others. For Publications see my CV at: http://buscatextual.cnpq.br/buscatextual/visualizacv.jsp?id=C840133
