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Study on the regioselectivity of the N-ethylation reaction of N-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxamide.
Beilstein J Org Chem. 2019 Feb 12;15:388-400. doi: 10.3762/bjoc.15.35. eCollection 2019.
Beilstein J Org Chem. 2019.
PMID: 30873225
Free PMC article.
Synergistic Interaction of Hyperbranched Polyglycerols and Cetyltrimethylammonium Bromide for Oil/Water Interfacial Tension Reduction: A Molecular Dynamics Study.
de Almeida JM, Ferreira CC, Bandeira L, Cunha RD, Coutinho-Neto MD, Homem-De-Mello P, Orestes E, Nascimento RSV.
de Almeida JM, et al. Among authors: orestes e.
J Phys Chem B. 2023 Nov 2;127(43):9356-9365. doi: 10.1021/acs.jpcb.3c01707. Epub 2023 Oct 23.
J Phys Chem B. 2023.
PMID: 37871185
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Including thermal disorder of hydrogen bonding to describe the vibrational circular dichroism spectrum of zwitterionic L-alanine in water.
Orestes E, Bistafa C, Rivelino R, Canuto S.
Orestes E, et al.
J Phys Chem A. 2015 May 28;119(21):5099-106. doi: 10.1021/jp508205k. Epub 2014 Dec 11.
J Phys Chem A. 2015.
PMID: 25424499
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Insights into the interactions of CO2 with amines: a DFT benchmark study.
Orestes E, Ronconi CM, Carneiro JW.
Orestes E, et al.
Phys Chem Chem Phys. 2014 Aug 28;16(32):17213-9. doi: 10.1039/c4cp02254h.
Phys Chem Chem Phys. 2014.
PMID: 25014069
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Excitation energies from ground-state density-functionals by means of generator coordinates.
Orestes E, da Silva AB, Capelle K.
Orestes E, et al.
Phys Chem Chem Phys. 2009 Jun 14;11(22):4564-9. doi: 10.1039/b902529d. Epub 2009 Mar 26.
Phys Chem Chem Phys. 2009.
PMID: 19475176
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Understanding the molecular aspects of tetrahydrocannabinol and cannabidiol as antioxidants.
Borges RS, Batista J Jr, Viana RB, Baetas AC, Orestes E, Andrade MA, Honório KM, da Silva AB.
Borges RS, et al. Among authors: orestes e.
Molecules. 2013 Oct 14;18(10):12663-74. doi: 10.3390/molecules181012663.
Molecules. 2013.
PMID: 24129275
Free PMC article.
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Generator coordinate method in time-dependent density-functional theory: memory made simple.
Orestes E, Capelle K, da Silva AB, Ullrich CA.
Orestes E, et al.
J Chem Phys. 2007 Sep 28;127(12):124101. doi: 10.1063/1.2768368.
J Chem Phys. 2007.
PMID: 17902887
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