de Souza MÂF - Search Results

1

TanP: A Multifunctional Anionic Peptide From Tityus stigmurus Scorpion Venom.

de Melo MMA, Oliveira VDS, de Queiroz Neto MF, Paiva WS, Torres-Rêgo M, Silva SRB, Pontes DL, Rocha HAO, de Souza MÂF, da Silva-Júnior AA, Fernandes-Pedrosa MF. de Melo MMA, et al. Among authors: de souza maf. Front Mol Biosci. 2022 Jan 17;8:785316. doi: 10.3389/fmolb.2021.785316. eCollection 2021. Front Mol Biosci. 2022. PMID: 35111812 Free PMC article.

2

Effect of methylation on relative energies of tautomers and on the intramolecular proton transfer barriers of protonated nitrosamine: A MR-CISD study.

de Andrade RB, Vieira Leitão EF, de Souza MA, Ventura E, do Monte SA. de Andrade RB, et al. J Comput Chem. 2015 Oct 15;36(27):2027-36. doi: 10.1002/jcc.24007. Epub 2015 Jul 14. J Comput Chem. 2015. PMID: 26171999

3

Computational and experimental assessment of efficient dye adsorption method from aqueous effluents by halloysite and palygorskite clay minerals.

Câmara ABF, Silva MRL, de Longe C, Moura HOMA, Silva SRB, de Souza MAF, Rodríguez-Castellón E, de Carvalho LS. Câmara ABF, et al. Among authors: de souza maf. Environ Sci Pollut Res Int. 2023 Dec 29. doi: 10.1007/s11356-023-31546-w. Online ahead of print. Environ Sci Pollut Res Int. 2023. PMID: 38158527

4

Theoretical and Experimental Investigation of Acidity of the Glutamate Receptor Antagonist 6,7-Dinitro-1,4-dihydroquinoxaline-2,3-dione and Its Possible Implication in GluA2 Binding.

de Freitas GRS, Coelho SE, Monteiro NKV, Neri JM, Cavalcanti LN, Domingos JB, Vieira DS, de Souza MAF, Menezes FG. de Freitas GRS, et al. Among authors: de souza maf. J Phys Chem A. 2017 Oct 5;121(39):7414-7423. doi: 10.1021/acs.jpca.7b07775. Epub 2017 Sep 25. J Phys Chem A. 2017. PMID: 28902515

5

Spin-Forbidden Branching in the Mechanism of the Intrinsic Haber-Weiss Reaction.

Leitão EFV, Ventura E, de Souza MAF, Riveros JM, do Monte SA. Leitão EFV, et al. Among authors: de souza maf. ChemistryOpen. 2017 Mar 23;6(3):360-363. doi: 10.1002/open.201600169. eCollection 2017 Jun. ChemistryOpen. 2017. PMID: 28638768 Free PMC article.

6

Dynamical Bifurcation in Gas-Phase XH^- + CH₃ Y S_N 2 Reactions: The Role of Energy Flow and Redistribution in Avoiding the Minimum Energy Path.

Proenza YG, de Souza MA, Longo RL. Proenza YG, et al. Chemistry. 2016 Nov 2;22(45):16220-16229. doi: 10.1002/chem.201602976. Epub 2016 Sep 21. Chemistry. 2016. PMID: 27651104

7

Revisiting the concept of the (a)synchronicity of Diels-Alder reactions based on the dynamics of quasiclassical trajectories.

de Souza MA, Ventura E, do Monte SA, Riveros JM, Longo RL. de Souza MA, et al. J Comput Chem. 2016 Mar 30;37(8):701-11. doi: 10.1002/jcc.24245. Epub 2015 Nov 17. J Comput Chem. 2016. PMID: 26575321

8

Assessment of density-functionals for describing the X(-) + CH3ONO2 gas-phase reactions with X = F, OH, CH2CN.

Proenza YG, de Souza MA, Ventura E, do Monte SA, Longo RL. Proenza YG, et al. Phys Chem Chem Phys. 2014 Dec 28;16(48):26769-78. doi: 10.1039/c4cp03674c. Phys Chem Chem Phys. 2014. PMID: 25372179

9

Dynamic effects dictate the mechanism and selectivity of dehydration-rearrangement reactions of protonated alcohols [Me2 (R)CCH(OH2 )Me](+) (R=Me, Et, iPr) in the gas phase.

de Souza MA, Ventura E, do Monte SA, Riveros JM, Longo RL. de Souza MA, et al. Chemistry. 2014 Oct 13;20(42):13742-54. doi: 10.1002/chem.201402617. Epub 2014 Sep 1. Chemistry. 2014. PMID: 25179304

10

Selectivity and mechanisms driven by reaction dynamics: the case of the gas-phase OH(-) + CH3ONO2 reaction.

de Souza MA, Correra TC, Riveros JM, Longo RL. de Souza MA, et al. J Am Chem Soc. 2012 Nov 21;134(46):19004-10. doi: 10.1021/ja3057166. Epub 2012 Nov 13. J Am Chem Soc. 2012. PMID: 23106516

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