Carvalho-Silva VH - Search Results

1

Combined Role of the Asymmetric Counteranion-Directed Catalysis (ACDC) and Ionic Liquid Effect for the Enantioselective Biginelli Multicomponent Reaction.

Alvim HGO, Pinheiro DLJ, Carvalho-Silva VH, Fioramonte M, Gozzo FC, da Silva WA, Amarante GW, Neto BAD. Alvim HGO, et al. J Org Chem. 2018 Oct 5;83(19):12143-12153. doi: 10.1021/acs.joc.8b02101. Epub 2018 Sep 13. J Org Chem. 2018. PMID: 30160956

2

Deciphering the Dynamics of Organic Nanoaggregates with AIEE Effect and Excited States: Lipophilic Benzothiadiazole Derivatives as Selective Cell Imaging Probes.

Sodre ER, Guido BC, de Souza PEN, Machado DFS, Carvalho-Silva VH, Chaker JA, Gatto CC, Correa JR, Fernandes TA, Neto BAD. Sodre ER, et al. Among authors: carvalho silva vh. J Org Chem. 2020 Oct 2;85(19):12614-12634. doi: 10.1021/acs.joc.0c01805. Epub 2020 Sep 14. J Org Chem. 2020. PMID: 32876447

3

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

4

Topography of the free energy landscape of Claisen-Schmidt condensation: solvent and temperature effects on the rate-controlling step.

Coutinho ND , Machado HG , Carvalho-Silva VH , da Silva WA . Coutinho ND , et al. Among authors: carvalho silva vh. Phys Chem Chem Phys. 2021 Mar 21;23(11):6738-6745. doi: 10.1039/d0cp05659f. Epub 2021 Mar 12. Phys Chem Chem Phys. 2021. PMID: 33710206

5

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

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

Investigation of the Abstraction and Dissociation Mechanism in the Nitrogen Trifluoride Channels: Combined Post-Hartree-Fock and Transition State Theory Approaches.

Claudino D, Gargano R, Carvalho-Silva VH, E Silva GM, da Cunha WF. Claudino D, et al. J Phys Chem A. 2016 Jul 21;120(28):5464-73. doi: 10.1021/acs.jpca.6b04947. Epub 2016 Jul 6. J Phys Chem A. 2016. PMID: 27355487

8

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

9

Temperature Dependence of Rate Processes Beyond Arrhenius and Eyring: Activation and Transitivity.

Carvalho-Silva VH, Coutinho ND, Aquilanti V. Carvalho-Silva VH, et al. Front Chem. 2019 May 29;7:380. doi: 10.3389/fchem.2019.00380. eCollection 2019. Front Chem. 2019. PMID: 31192196 Free PMC article.

10

Nucleophilic substitution vs elimination reaction of bisulfide ions with substituted methanes: exploration of chiral selectivity by stereodirectional first-principles dynamics and transition state theory.

Rezende MVCS, Coutinho ND, Palazzetti F, Lombardi A, Carvalho-Silva VH. Rezende MVCS, et al. J Mol Model. 2019 Jul 17;25(8):227. doi: 10.1007/s00894-019-4126-0. J Mol Model. 2019. PMID: 31317347

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