Michell O. Almeida

Study on molecular structure, spectroscopic properties (FTIR and UV–Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer

Michell O. Almeida, Daiane A. S. Barros, Sheila Cruz Araújo et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2017 · 26 citations · Full text

Molecular Docking, Medicinal Chemistry, Spectroscopic Properties +7

Tailoring the ORR selectivity for H₂O₂ electrogeneration by modification of Printex L6 carbon with 1,4-naphthoquinone: a theoretical, experimental and environmental application study

Matheus S. Kronka, Fernando L. Silva, Alysson Stefan Martins et al. · Materials Advances · 2020 · 24 citations · Full text

Materials Science, Oxygen Reduction Reaction, Chemical Engineering +15

Gas‐Phase Errors Affect DFT‐Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide

Michell O. Almeida, Manuel J. Kolb, Marcos R.V. Lanza et al. · ChemElectroChem · 2022 · 19 citations · Full text

Engineering, Chemistry, Electrocatalysis Models +17

Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors

Sheila Cruz Araújo, Vinícius Gonçalves Maltarollo, Michell O. Almeida et al. · Molecules · 2020 · 17 citations · Full text

Drug Target, Hit Identification, Hit Candidates +18

Gas‐phase errors affect DFT‐based electrocatalysis models of oxygen reduction to hydrogen peroxide

Michell O. Almeida, Manuel J. Kolb, Marcos R.V. Lanza et al. · ChemElectroChem · 2022 · 14 citations

Engineering, Abstract Invited, Chemistry +18