| “pySiRC”: Machine Learning Combined with Molecular Fingerprints to Predict the Reaction Rate Constant of the Radical-Based Oxidation Processes of Aqueous … FO Sanches-Neto, JR Dias-Silva, LH Keng Queiroz Junior, ... Environmental Science & Technology 55 (18), 12437-12448, 2021 | 60 | 2021 |
| Design of apolar chitosan-type adsorbent for removal of Cu (II) and Pb (II): An experimental and DFT viewpoint of the complexation process CL Vieira, FOS Neto, VH Carvalho-Silva, R Signini Journal of Environmental Chemical Engineering 7 (3), 103070, 2019 | 31 | 2019 |
| A novel assessment of the role of the methyl radical and water formation channel in the CH 3 OH+ H reaction FO Sanches-Neto, ND Coutinho, VH Carvalho-Silva Physical Chemistry Chemical Physics 19 (36), 24467-24477, 2017 | 30 | 2017 |
| “Transitivity”: a code for computing kinetic and related parameters in chemical transformations and transport phenomena HG Machado, FO Sanches-Neto, ND Coutinho, KC Mundim, F Palazzetti, ... Molecules 24 (19), 3478, 2019 | 28 | 2019 |
| Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling ND Coutinho, FO Sanches‐Neto, VH Carvalho‐Silva, HCB de Oliveira, ... Journal of Computational Chemistry 39 (30), 2508-2516, 2018 | 27 | 2018 |
| Aqueous picloram degradation by hydroxyl radicals: unveiling mechanism, kinetics, and ecotoxicity through experimental and theoretical approaches FO Sanches-Neto, B Ramos, AM Lastre-Acosta, ACSC Teixeira, ... Chemosphere 278, 130401, 2021 | 21 | 2021 |
| Evaluating and elucidating the reactivity of OH radicals with atmospheric organic pollutants: Reaction kinetics and mechanisms by machine learning FO Sanches-Neto, JR Dias-Silva, VM de Oliveira, V Aquilanti, ... Atmospheric Environment 275, 119019, 2022 | 20 | 2022 |
| Temperature dependence of rate constants for the H(D) + CH4 reaction in gas and aqueous phase: deformed Transition-State Theory study including quantum … FO Sanches-Neto, ND Coutinho, F Palazzetti, VH Carvalho-Silva Structural Chemistry 31 (2), 609-617, 2020 | 13 | 2020 |
| Photochemical environmental persistence of venlafaxine in an urban water reservoir: A combined experimental and computational investigation LP de Souza, FO Sanches-Neto, GMY Junior, B Ramos, ... Process Safety and Environmental Protection 166, 478-490, 2022 | 11 | 2022 |
| Greener molecularly imprinted polymers: Strategies and applications in separation and mass spectrometry methods RO Martins, RA Bernardo, LS Machado, ACB Junior, LÍL Maciel, ... TrAC Trends in Analytical Chemistry, 117285, 2023 | 10 | 2023 |
| “pySewage”: a hybrid approach to predict the number of SARS-CoV-2-infected people from wastewater in Brazil ARV de Sousa, L do Carmo Silva, JS de Curcio, HD da Silva, ... Environmental Science and Pollution Research 29 (44), 67260-67269, 2022 | 10 | 2022 |
| First-Principles Molecular Dynamics and Computed Rate Constants for the Series of OH-HX Reactions (X = H or the Halogens): Non-Arrhenius Kinetics … ND Coutinho, V Aquilanti, FO Sanches-Neto, EC Vaz, VH Carvalho-Silva Computational Science and Its Applications–ICCSA 2018: 18th International …, 2018 | 5 | 2018 |
| SpectraFP: A new spectra-based descriptor to aid in cheminformatics, molecular characterization and search algorithm applications JR Dias-Silva, VM Oliveira, FO Sanches-Neto, RZ Wilhelms, LHKQ Júnior Physical Chemistry Chemical Physics 25 (27), 18038-18047, 2023 | 3 | 2023 |
| Detecção de SARS-CoV-2 em águas residuárias como ferramenta de predição de infectados de uma capital da região centro-oeste do Brasil ARV de Sousa, LDC Silva, JS de Curcio, H Delleon, CE Anunciação, ... The Brazilian Journal of Infectious Diseases 26, 102024, 2022 | 3 | 2022 |
| Mechanism and Kinetics of The Degradation of Nitazoxanide and Hydroxychloroquine Drugs by Hydroxyl Radicals: Theoretical Approach to Ecotoxicity FO Sanches-Neto, ND Coutinho, V Aquilanti, WA Silvab, ... Journal of the Brazilian Chemical Society 5, 7, 2023 | 2 | 2023 |
| Insights into chalcone analogues with potential as antioxidant additives in diesel–biodiesel blends ID Borges, ECM Faria, JFM Custódio, VS Duarte, FS Fernandes, ... RSC advances 12 (53), 34746-34759, 2022 | 2 | 2022 |
| Renormalized chemical kinetics and benchmark quantum mechanical rates: activation energies and tunnelling transitivities for the reactions of fluorine atoms with H2 and HD VH Carvalho-Silva, FO Sanches-Neto, GM Leão, S Cavalli, D De Fazio, ... Rendiconti Lincei. Scienze Fisiche e Naturali 34 (4), 997-1011, 2023 | 1 | 2023 |
| Kinetics, mechanism, and tautomerism in ametryn acid hydrolysis: From molecular structure to environmental impacts B Ramos, WF Vaz, LF Diniz, FOS Neto, JCO Ribeiro, VH Carvalho-Silva, ... Chemosphere 324, 138278, 2023 | 1 | 2023 |
| Teorias e Protocolos para Simulações Quânticas de Dinâmicas Moleculares de Car-Parrinello e Metadinâmica FOS Neto, HG Machado, EC Vaz, YS Silva, VH Carvalho-Silva movimento 4, 5, 2018 | 1 | 2018 |
| Busca de Pontos Estacionários em Superfícies de Energia Potencial com Perspectivas em Reações Químicas: Teorias e Protocolos FOS Neto, HG Machado, GG Sousa, EC Vaz, VH Carvalho-Silva, YS Silva Revista Processos Químicos 12 (23), 47-53, 2018 | 1 | 2018 |
Valter Henrique Carvalho-SilvaUniversidade Estadual de Goiás在 ueg.br 的电子邮件经过验证
