Flávio Olimpio Sanches-Neto

6PUBLICATIONS
21CO-AUTHORS
Theoretical quantum chemistryBiomolecular modelling and designFree radical chemistryComputational chemistryChemical and thermal processes in energy and combustion
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Publications (6)

|Oct 16, 2026
Accounting for Thermal Effects in the Charge-Transfer Properties of Dipolar Organic Dyes for Dye-Sensitized Solar Cells.

|Apr 29, 2025
Integrating Machine Learning and SHAP Analysis to Advance the Rational Design of Benzothiadiazole Derivatives with Tailored Photophysical Properties.

Rafael F Veríssimo, Pedro H F Matias, Mateus R Barbosa

|Dec 17, 2024
(E)-2-Benzylidenecyclanones: Part XX-Reaction of Cyclic Chalcone Analogs with Cellular Thiols: Unexpected Increased Reactivity of 4-Chromanone- Compared to 1-Tetralone Analogs in Thia-Michael Reactions.

Gábor Bognár, Fatemeh Kenari, Zoltán Pintér

|Jun 28, 2023
SpectraFP: a new spectra-based descriptor to aid in cheminformatics, molecular characterization and search algorithm applications.

Jefferson R Dias-Silva, Vitor M Oliveira, Flávio O Sanches-Neto

|Dec 22, 2022
Insights into chalcone analogues with potential as antioxidant additives in diesel-biodiesel blends.

Igor D Borges, Eduardo C M Faria, Jean F M Custódio

|Sep 02, 2021
"pySiRC": Machine Learning Combined with Molecular Fingerprints to Predict the Reaction Rate Constant of the Radical-Based Oxidation Processes of Aqueous Organic Contaminants.

Flávio Olimpio Sanches-Neto, Jefferson Richard Dias-Silva, Luiz Henrique Keng Queiroz Junior

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Frequent Collaborators

3 joint publications

Valter Henrique Carvalho-Silva

2 joint publications

Heibbe C B Oliveira

2 joint publications

Hamilton B Napolitano

1 joint publications

Rafael F Veríssimo