Search Results - "Sanches-Neto, Flávio O." :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Vyzkoušejte nový nástroj s podporou AI Summon Research Assistant BETA

Cover Image

Hidden Carbenes: NHC-Al Species at the Al2O3–Ionic Liquid Interface

by Qadir, Muhammad I., Ebersol, Camila P., da Silva, Blendo A., Castegnaro, Marcus V., Lião, Luciano M., Sanches-Neto, Flávio O., de Oliveira, Heibbe Cristhian B., Pontes, Renato B., Ebeling, Gunter, Dupont, Jairton
Published in JACS Au (22.09.2025)

Get full text

Journal Article

Cover Image

Insights into chalcone analogues with potential as antioxidant additives in diesel-biodiesel blends

by Borges, Igor D, Faria, Eduardo C. M, Custódio, Jean F. M, Duarte, Vitor S, Fernandes, Fernanda S, Alonso, Christian G, Sanches-Neto, Flávio O, Carvalho-Silva, Valter H, Oliveira, Guilherme R, Napolitano, Hamilton B
Published in RSC advances (29.11.2022)

Get full text

Journal Article

Cover Image

“Transitivity”: A Code for Computing Kinetic and Related Parameters in Chemical Transformations and Transport Phenomena

by Machado, Hugo G., Sanches-Neto, Flávio O., Coutinho, Nayara D., Mundim, Kleber C., Palazzetti, Federico, Carvalho-Silva, Valter H.
Published in Molecules (25.09.2019)

Get full text

Journal Article

Cover Image

A novel assessment of the role of the methyl radical and water formation channel in the CH3OH + H reaction

by Sanches-Neto, Flávio O, Coutinho, Nayara D, Carvalho-Silva, Valter H
Published in Physical chemistry chemical physics : PCCP (2017)

Get full text

Journal Article

Cover Image

Evaluating and elucidating the reactivity of OH radicals with atmospheric organic pollutants: Reaction kinetics and mechanisms by machine learning

by Sanches-Neto, Flávio O., Dias-Silva, Jefferson R., de Oliveira, Vitor M., Aquilanti, Vincenzo, Carvalho-Silva, Valter H.
Published in Atmospheric environment (1994) (15.04.2022)

Get full text

Journal Article

Cover Image

Design of apolar chitosan-type adsorbent for removal of Cu(II) and Pb(II): An experimental and DFT viewpoint of the complexation process

by Vieira, Camilla L., Sanches Neto, Flávio O., Carvalho-Silva, Valter H., Signini, Roberta
Published in Journal of environmental chemical engineering (01.06.2019)

Get full text

Journal Article

Cover Image

Aqueous picloram degradation by hydroxyl radicals: Unveiling mechanism, kinetics, and ecotoxicity through experimental and theoretical approaches

by Sanches-Neto, Flávio O., Ramos, Bruno, Lastre-Acosta, Arlen M., Teixeira, Antonio Carlos S.C., Carvalho-Silva, Valter H.
Published in Chemosphere (Oxford) (01.09.2021)

Get full text

Journal Article

Cover Image

SpectraFP: a new spectra-based descriptor to aid in cheminformatics, molecular characterization and search algorithm applications

by Dias-Silva, Jefferson R, Oliveira, Vitor M, Sanches-Neto, Flávio O, Wilhelms, Renan Z, Queiroz Júnior, Luiz H. K
Published in Physical chemistry chemical physics : PCCP (12.07.2023)

Get full text

Journal Article

Cover Image

Kinetics, mechanism, and tautomerism in ametryn acid hydrolysis: From molecular structure to environmental impacts

by Ramos, Bruno, Vaz, Wesley F., Diniz, Luan F., Sanches Neto, Flavio O., Ribeiro, Julio C.O., Carvalho-Silva, Valter H., Teixeira, Antonio Carlos S.C., Ribeiro, Caue, Napolitano, Hamilton B., Carvalho, Paulo S.
Published in Chemosphere (Oxford) (01.05.2023)

Get full text

Journal Article

Cover Image

Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling

by Coutinho, Nayara D., Sanches‐Neto, Flavio O., Carvalho‐Silva, Valter H., Oliveira, Heibbe C. B., Ribeiro, Luiz A., Aquilanti, Vincenzo
Published in Journal of computational chemistry (15.11.2018)

Get full text

Journal Article

Cover Image

A novel assessment of the role of the methyl radical and water formation channel in the CH 3 OH + H reaction

by Sanches-Neto, Flávio O., Coutinho, Nayara D., Carvalho-Silva, Valter H.
Published in Physical chemistry chemical physics : PCCP (20.09.2017)

Get full text

Journal Article

Cover Image

Hidden Carbenes: NHC-Al Species at the Al 2 O 3 –Ionic Liquid Interface

by Qadir, Muhammad I., Ebersol, Camila P., da Silva, Blendo A., Castegnaro, Marcus V., Lião, Luciano M., Sanches-Neto, Flávio O., de Oliveira, Heibbe Cristhian B., Pontes, Renato B., Ebeling, Gunter, Dupont, Jairton
Published in JACS Au (22.09.2025)

Get full text

Journal Article

Cover Image

Temperature dependence of rate constants for the H(D) + CH4 reaction in gas and aqueous phase: deformed Transition-State Theory study including quantum tunneling and diffusion effects

by Sanches-Neto, Flávio O., Coutinho, Nayara D., Palazzetti, Federico, Carvalho-Silva, Valter H.
Published in Structural chemistry (01.04.2020)

Get full text

Journal Article

Cover Image

First-Principles Molecular Dynamics and Computed Rate Constants for the Series of OH-HX Reactions (X = H or the Halogens): Non-Arrhenius Kinetics, Stereodynamics and Quantum Tunnel

by Coutinho, Nayara D., Aquilanti, Vincenzo, Sanches-Neto, Flávio O., Vaz, Eduardo C., Carvalho-Silva, Valter H.
Published in Computational Science and Its Applications - ICCSA 2018 (2018)

Get full text

Book Chapter

Cover Image

Mechanism and Kinetics of The Degradation of Nitazoxanide and Hydroxychloroquine Drugs by Hydroxyl Radicals: Theoretical Approach to Ecotoxicity

by Sanches-Neto, Flávio, Coutinho, Nayara, Aquilanti, Vincenzo, Silva, Wender, Carvalho-Silva, Valter
Published in Journal of the Brazilian Chemical Society (01.08.2023)

Get full text

Journal Article

Cover Image

Structural characterization of asphaltenes enriched in Island and archipelago motifs by LDI ( +) FT-ICR MS

by Silva, Lidya C., Dávila, Jeferson V., Roque, Jussara V., Sanches-Neto, Flávio O., Simas, Rosineide C., Fleming, Felipe P., Vaz, Boniek G.
Published in Brazilian journal of chemical engineering (01.06.2024)

Get full text

Journal Article

Cover Image

Renormalized chemical kinetics and benchmark quantum mechanical rates: activation energies and tunnelling transitivities for the reactions of fluorine atoms with H2 and HD

by Carvalho-Silva, Valter H., Sanches-Neto, Flávio O., Leão, Guilherme M., Cavalli, Simonetta, De Fazio, Dario, Nucci, Maria C., Aquilanti, Vincenzo
Published in Atti della Accademia nazionale dei Lincei. Rendiconti Lincei. Scienze fisiche e naturali (01.12.2023)

Get full text

Journal Article

Cover Image

Kinetics of the OH+HCl→H 2 O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling

by Coutinho, Nayara D., Sanches‐Neto, Flavio O., Carvalho‐Silva, Valter H., de Oliveira, Heibbe C. B., Ribeiro, Luiz A., Aquilanti, Vincenzo
Published in Journal of computational chemistry (15.11.2018)

Get full text

Journal Article

Cover Image

A novel assessment of the role of the methyl radical and water formation channel in the CH3OH + H reactionElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03806b

by Sanches-Neto, Flávio O, Coutinho, Nayara D, Carvalho-Silva, Valter H
Year of Publication 20.09.2017

Get full text

Journal Article

Cover Image

Kinetics of the OH+HCl→H2 O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling

by Coutinho, Nayara D, Sanches-Neto, Flavio O, Carvalho-Silva, Valter H, de Oliveira, Heibbe C B, Ribeiro, Luiz A, Aquilanti, Vincenzo
Published in Journal of computational chemistry (15.11.2018)

Get full text

Journal Article