Florence P. Novais Antunes

Van der Waals interactions and the properties of graphite and 2H-, 3R- and 1T-MoS2: A comparative study

Florence P. Novais Antunes, Viviane S. Vaiss, Sérgio R. Tavares et al. · Computational Materials Science · 2018 · 52 citations

Materials Science, Graphene Nanomeshes, Transition Metal Chalcogenides +10

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 · 21 citations

Materials Science, Materials Engineering, Chemical Engineering +14

DFT simulations of dissociative chemisorption of sulfur-, nitrogen- and oxygen-containing molecules on mixed oxides with Mg, Al and Zn

Carla G. Fonseca, Bruna Nádia N. Silva, Juliana F. S. Haddad et al. · Applied Surface Science · 2019 · 20 citations

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 · 19 citations

Engineering, Computational Chemistry, Chemistry +17

Adsorption of oxygen and CO oxidation on Au/anatase(001) catalysts. A DFT+U study

Muhammad Adnan Saqlain, Florence P. Novais Antunes, Akhtar Hussain et al. · New Journal of Chemistry · 2017 · 13 citations

Engineering, Oxidation Resistance, Oxygen Isotope +17