| 1 |
Experimental and theoretical study of deactivated HDT catalysts by Si species deposited on their surfaces: Models proposition, structural and thermodynamic analysis
Vaiss VS, Fonseca CG, Antunes FPN, Jr LSC, Chiaro SSX, Souza WF, Leitao AA
Journal of Catalysis, 389, 578, 2020 |
| 2 |
DFT simulations of dissociative chemisorption of sulfur-, nitrogen- and oxygen-containing molecules on mixed oxides with Mg, Al and Zn
Fonseca CG, Silva BNN, Haddad JFS, Lima LL, Moraes PIR, Vaiss VS, Antunes FPN, Souza WF, Chiaro SSX, Leitao AA
Applied Surface Science, 484, 524, 2019 |
| 3 |
Novel 2D materials from exfoliation of layered hydroxide salts: A theoretical study
Tavares SR, Moraes PIR, Capaz RB, Leitao AA
Applied Surface Science, 483, 762, 2019 |
| 4 |
Water dissociation and CO oxidation over Au/anatase catalyst. A DFT-D2 study
Saqlain MA, Hussain A, Siddiq M, Leitao AA
Applied Surface Science, 435, 1168, 2018 |
| 5 |
A DFT plus U study of the Mars Van Krevelen mechanism of CO oxidation on Au/TiO2 catalysts
Saqlain MA, Hussain A, Siddiq M, Leitao AA
Applied Catalysis A: General, 519, 27, 2016 |
| 6 |
6-Aminopenicillanic acid revisited: A combined solid state NMR and in silico refinement
de Aguiar DLM, Gil RADS, de Alencastro RB, de Souza EF, Borre LB, Vaiss VD, Leitao AA
Chemical Physics Letters, 660, 214, 2016 |
| 7 |
A theoretical study of a homologous series of zinc n-alkanoates (2 <= n(C) <= 8): Structural analysis, evaluation of their interactions and monofilm formation
Tavares SR, Wypych F, Leitao AA
Chemical Physics Letters, 636, 154, 2015 |
| 8 |
Vacancy formation in MoS2 supported on MgO: Electronic and energetic analysis
Antunes FPN, Vaiss VS, Tavares SR, Chiaro SSX, Souza WF, Leitao AA
Chemical Physics Letters, 626, 55, 2015 |
| 9 |
MgCoAl and NiCoAl LDHs synthesized by the hydrothermal urea hydrolysis method: Structural characterization and thermal decomposition
Chagas LH, De Carvalho GSG, Do Carmo WR, Gil RASS, Chiaro SSX, Leitao AA, Diniz R, De Sena LA, Achete CA
Materials Research Bulletin, 64, 207, 2015 |
| 10 |
Obtaining aluminas from the thermal decomposition of their different precursors: An Al-27 MAS NMR and X-ray powder diffraction studies
Chagas LH, De Carvalho GSG, Gil RASS, Chiaro SSX, Leitao AA, Diniz R
Materials Research Bulletin, 49, 216, 2014 |
