Wladmir F. Souza

发表

Structural models of activated γ-alumina surfaces revisited: Thermodynamics, NMR and IR spectroscopies from ab initio calculations

Stefano de Gironcoli, A. R. Ferreira, E. Kucukbenli, 2013 .

Catalytic oxidation of sulfur and nitrogen compounds from diesel fuel

M. C. Guerreiro, I. R. Guimarães, L. C. Oliveira, 2009 .

Computational Studies of MoS2 Nanotubes for Hydrodesulfurization

S. Chiaro, S. R. Tavares, A. A. Leitão, 2022, ACS Applied Nano Materials.

Natural and H2-reduced limonite for organic oxidation by a Fenton-like system: Mechanism study via ESI-MS and theoretical calculations

M. C. Guerreiro, K. T. Carvalho, I. R. Guimarães, 2007 .

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

A. Rocha, S. Chiaro, A. A. Leitão, 2012 .

Direct comparison between two γ-alumina structural models by DFT calculations

A. R. Ferreira, R. Capaz, S. Chiaro, 2011 .

Hydrocracking Brazilian Marlim vacuum residue with natural limonite. Part 1: catalytic activity of natural limonite

I. Saito, Shinya Sato, A. Matsumura, 2005 .

Ab initio simulation of changes in geometry, electronic structure, and Gibbs free energy caused by dehydration of hydrotalcites containing Cl⁻ and CO₃²⁻ counteranions.

A. Rocha, S. Chiaro, A. A. Leitão, 2011, The journal of physical chemistry. B.

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

A. Rocha, S. Chiaro, A. A. Leitão, 2012 .

Highly reactive magnetite covered with islands of carbon: Oxidation of N and S-containing compounds in a biphasic system

M. C. Guerreiro, I. R. Guimarães, A. Giroto, 2013 .

Amphiphilic catalysts based on onion-like carbon over magnetic iron oxide for petrochemical industry use

M. Pereira, Wladmir F. Souza, L. Oliveira, 2012 .

Effect of Ni incorporation into goethite in the catalytic activity for the oxidation of nitrogen compounds in petroleum

M. C. Guerreiro, I. R. Guimarães, A. Giroto, 2010 .

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

S. Chiaro, A. A. Leitão, L. S. Chinelatto, 2020 .

Evaluation of nitrogen effect on ultrasound-assisted oxidative desulfurization process

P. A. Mello, E. Flores, G. Cravotto, 2014 .

Brazilian Limonite for the Oxidation of Quinoline: High Activity after a Simple Magnetic Separation

I. R. Guimarães, D. Q. Lima, Wladmir F. Souza, 2009 .

Theoretical studies of the interaction of terephthalate anion in MgAl-layered double hydroxides

S. Chiaro, A. A. Leitão, Wladmir F. Souza, 2015 .

Direct comparison among the formation of terephthalate- and carbonate-intercalated Mg-Al-LDH: The influence of the high aluminum content

S. Chiaro, A. Faro, A. A. Leitão, 2018 .

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

A. Rocha, S. Chiaro, R. Diniz, 2010 .

Vacancy formation in MoS 2 supported on MgO: Electronic and energetic analysis

S. Chiaro, S. R. Tavares, A. A. Leitão, 2015 .

Effects of paraffin, fatty acid and long alkyl chain phenol on the solidification of n-hexadecane under harsh subcooling condition: A molecular dynamics simulation study

Guilherme C. Q. da Silva, G. C. da Silva, B. Horta, 2021 .

The role of Zn 2+ dopants in the acid-basic catalysis on MgO(001) surface: Ab initio simulations of the dissociative chemisorption of R-O-R′ and R-S-R′ (R, R ′ = H , CH 3 , C 2 H 5 )

S. Chiaro, R. Diniz, S. R. Tavares, 2017 .