Carvalho-Silva VH - Search Results

1

Efficiency of water treatment with crushed shell of jatobá-do-cerrado (Hymenaea stigonocarpa) fruit to adsorb Cu(II) and Ni(II) ions: experimental and quantum chemical assessment of the complexation process.

Sales CS, de Melo Camargo LTF, Araújo CST, Carvalho-Silva VH, Signini R. Sales CS, et al. Among authors: carvalho silva vh. Environ Sci Pollut Res Int. 2021 Nov;28(42):60041-60059. doi: 10.1007/s11356-021-14868-5. Epub 2021 Jun 21. Environ Sci Pollut Res Int. 2021. PMID: 34155593

2

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

Sanches-Neto FO, Dias-Silva JR, Keng Queiroz Junior LH, Carvalho-Silva VH. Sanches-Neto FO, et al. Among authors: carvalho silva vh. Environ Sci Technol. 2021 Sep 21;55(18):12437-12448. doi: 10.1021/acs.est.1c04326. Epub 2021 Sep 2. Environ Sci Technol. 2021. PMID: 34473479

3

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

Sanches-Neto FO, Ramos B, Lastre-Acosta AM, Teixeira ACSC, Carvalho-Silva VH. Sanches-Neto FO, et al. Among authors: carvalho silva vh. Chemosphere. 2021 Sep;278:130401. doi: 10.1016/j.chemosphere.2021.130401. Epub 2021 Mar 30. Chemosphere. 2021. PMID: 33839382

4

Krypton-methanol spectroscopic study: Assessment of the complexation dynamics and the role of the van der Waals interaction.

de Aquino ABM, Leal LA, Carvalho-Silva VH, Gargano R, Ribeiro Junior LA, da Cunha WF. de Aquino ABM, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2018 Dec 5;205:179-185. doi: 10.1016/j.saa.2018.06.110. Epub 2018 Jul 2. Spectrochim Acta A Mol Biomol Spectrosc. 2018. PMID: 30015023

5

"Transitivity": A Code for Computing Kinetic and Related Parameters in Chemical Transformations and Transport Phenomena.

Machado HG, Sanches-Neto FO, Coutinho ND, Mundim KC, Palazzetti F, Carvalho-Silva VH. Machado HG, et al. Among authors: carvalho silva vh. Molecules. 2019 Sep 25;24(19):3478. doi: 10.3390/molecules24193478. Molecules. 2019. PMID: 31557893 Free PMC article.

6

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

Sanches-Neto FO, Coutinho ND, Carvalho-Silva VH. Sanches-Neto FO, et al. Phys Chem Chem Phys. 2017 Sep 20;19(36):24467-24477. doi: 10.1039/c7cp03806b. Phys Chem Chem Phys. 2017. PMID: 28890979

7

Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime.

Carvalho-Silva VH, Aquilanti V, de Oliveira HC, Mundim KC. Carvalho-Silva VH, et al. J Comput Chem. 2017 Jan 30;38(3):178-188. doi: 10.1002/jcc.24529. Epub 2016 Nov 17. J Comput Chem. 2017. PMID: 27859380

8

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

Coutinho ND, Sanches-Neto FO, Carvalho-Silva VH, de Oliveira HCB, Ribeiro LA, Aquilanti V. Coutinho ND, et al. J Comput Chem. 2018 Nov 15;39(30):2508-2516. doi: 10.1002/jcc.25597. Epub 2018 Oct 26. J Comput Chem. 2018. PMID: 30365178

9

Reply to the 'Comment on "Topography of the Free Energy Landscape on the Claisen-Schmidt Condensation: Solvent and Temperature Effect in the Rate-Controlling Step"' by N. D. Coutinho, H. G. Machado, V. H. Carvalho-Silva and W. A. da Silva, Phys. Chem. Chem. Phys., 2021, 23, 6738.

Coutinho ND, Machado HG, Carvalho-Silva VH, da Silva WA. Coutinho ND, et al. Among authors: carvalho silva vh. Phys Chem Chem Phys. 2021 Oct 6;23(38):22202-22206. doi: 10.1039/d1cp02799a. Phys Chem Chem Phys. 2021. PMID: 34614051

10

From the Kinetic Theory of Gases to the Kinetics of Rate Processes: On the Verge of the Thermodynamic and Kinetic Limits.

Carvalho-Silva VH, Coutinho ND, Aquilanti V. Carvalho-Silva VH, et al. Molecules. 2020 Apr 30;25(9):2098. doi: 10.3390/molecules25092098. Molecules. 2020. PMID: 32365840 Free PMC article.

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