Deyse G. Costa

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

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

Density-Functional Theory Simulation of the Dissociative Chemisorption of Water Molecules on the MgO(001) Surface

Raphael da Silva Alvim, Itamar Borges, Deyse G. Costa et al. · The Journal of Physical Chemistry C · 2011 · 48 citations

Clean Mgo, Engineering, Computational Chemistry +19

Ab Initio Study of Reaction Pathways Related to Initial Steps of Thermal Decomposition of the Layered Double Hydroxide Compounds

Deyse G. Costa, Alexandre B. Rocha, Wladmir F. Souza et al. · The Journal of Physical Chemistry C · 2012 · 36 citations

Materials Science, Inorganic Chemistry, Chemical Thermodynamics +15