Alexandre B. Rocha

Comparative Structural, thermodynamic and electronic analyses of ZnAlAn− hydrotalcite-like compounds (An−Cl−, F−, Br−, OH−, CO32− or NO3−): An ab initio study

Deyse G. Costa, Alexandre B. Rocha, Wladmir F. Souza et al. · Applied Clay Science · 2011 · 168 citations

Materials Science, Inorganic Chemistry, Znalan− Hydrotalcite-like Compounds +7

Structural Model Proposition and Thermodynamic and Vibrational Analysis of Hydrotalcite-Like Compounds by DFT Calculations

Deyse G. Costa, Alexandre B. Rocha, Renata Diniz et al. · The Journal of Physical Chemistry C · 2010 · 94 citations

Engineering, Theoretical Inorganic Chemistry, Structural Model Proposition +17

On the nature of inhibition performance of imidazole on iron surface

Juliana O. Mendes, Edilson C. da Silva, Alexandre B. Rocha · Corrosion Science · 2011 · 66 citations

Chemical Engineering, Medicinal Chemistry, Engineering +6

Ab Initio Simulation of Changes in Geometry, Electronic Structure, and Gibbs Free Energy Caused by Dehydration of Hydrotalcites Containing Cl⁻and CO₃²⁻Counteranions

Deyse G. Costa, Alexandre B. Rocha, Wladmir F. Souza et al. · The Journal of Physical Chemistry B · 2011 · 55 citations

Molecular inner-shell photoabsorption/photoionization cross sections at core-valence-separated coupled cluster level: Theory and examples

Bruno Nunes Cabral Tenorio, Torsha Moitra, Marco Antônio Chaer Nascimento et al. · The Journal of Chemical Physics · 2019 · 54 citations