Carla G. Fonseca

Structural and thermodynamic investigation of the hydration-dehydration process of Na+-Montmorillonite using DFT calculations

Carla G. Fonseca, Viviane S. Vaiss, Fernando Wypych et al. · Applied Clay Science · 2017 · 40 citations

Natural Sciences, Chemistry, Materials Science +16

Na+ as a probe to structural investigation of dehydrated smectites using NMR spectra calculated by DFT

Carla G. Fonseca, Gustavo Senra Gonçalves de Carvalho, Fernando Wypych et al. · Applied Clay Science · 2016 · 31 citations

Natural Sciences, Chemistry, Materials Science +12

Experimental and theoretical study of deactivated HDT catalysts by Si species deposited on their surfaces: Models proposition, structural and thermodynamic analysis

Viviane S. Vaiss, Carla G. Fonseca, Florence P. Novais Antunes et al. · Journal of Catalysis · 2020 · 23 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Investigation of the initial stages of the montmorillonite acid-activation process using DFT calculations

Carla G. Fonseca, Viviane S. Vaiss, Fernando Wypych et al. · Applied Clay Science · 2018 · 21 citations

Natural Sciences, Materials Engineering, Materials Science +16

DFT calculations for structural prediction and applications of intercalated lamellar compounds

Sérgio R. Tavares, Viviane S. Vaiss, Florence P. Novais Antunes et al. · Dalton Transactions · 2017 · 20 citations

Natural Sciences, Materials Science, Physics +17