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Unravelling the Structure of Peroxides with Antiparasitic Activity: The Relative Impact of a Trioxolane or a Tetraoxane Pharmacophore on the Overall Molecular Structure.
Chempluschem. 2022 Aug;87(8):e202200207. doi: 10.1002/cplu.202200207.
Chempluschem. 2022.
PMID: 36000152
UV-Induced Photochemistry of 1,3-Benzoxazole, 2-Isocyanophenol, and 2-Cyanophenol Isolated in Low-Temperature Ar Matrixes.
Reva I, Jesus AJL, Nunes CM, Roque JPL, Fausto R.
Reva I, et al. Among authors: jesus ajl.
J Org Chem. 2021 May 7;86(9):6126-6137. doi: 10.1021/acs.joc.0c02970. Epub 2021 Apr 19.
J Org Chem. 2021.
PMID: 33872502
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Structure of isolated 1,4-butanediol: combination of MP2 calculations, NBO analysis, and matrix-isolation infrared spectroscopy.
Jesus AJ, Rosado MT, Reva I, Fausto R, Eusébio ME, Redinha JS.
Jesus AJ, et al.
J Phys Chem A. 2008 May 22;112(20):4669-78. doi: 10.1021/jp7116196.
J Phys Chem A. 2008.
PMID: 18444635
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Conformational cooling dynamics in matrix-isolated 1,3-butanediol.
Rosado MT, Jesus AJ, Reva ID, Fausto R, Redinha JS.
Rosado MT, et al.
J Phys Chem A. 2009 Jul 2;113(26):7499-507. doi: 10.1021/jp900771g.
J Phys Chem A. 2009.
PMID: 19388693
Free article.
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Stepwise conformational cooling towards a single isomeric state in the four internal rotors system 1,2-butanediol.
Reva ID, Jesus AJ, Rosado MT, Fausto R, Eusébio ME, Redinha JS.
Reva ID, et al.
Phys Chem Chem Phys. 2006 Dec 7;8(45):5339-49. doi: 10.1039/b610962d.
Phys Chem Chem Phys. 2006.
PMID: 19810412
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Conformational study of erythritol and threitol in the gas state by density functional theory calculations.
Jesus AJ, Tomé LI, Rosado MT, Leitão ML, Redinha JS.
Jesus AJ, et al.
Carbohydr Res. 2005 Feb 7;340(2):283-91. doi: 10.1016/j.carres.2004.11.018.
Carbohydr Res. 2005.
PMID: 15639248
Free article.
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Hydration of cyclohexylamines: CPCM calculation of hydration Gibbs energy of the conformers.
Jesus AJ, Tomé LI, Eusébio ME, Rosado MT, Redinha JS.
Jesus AJ, et al.
J Phys Chem A. 2007 May 3;111(17):3432-7. doi: 10.1021/jp070243e. Epub 2007 Apr 7.
J Phys Chem A. 2007.
PMID: 17417830
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Conformational preferences of alpha,alpha-trehalose in gas phase and aqueous solution.
Nunes SC, Jesus AJ, Moreno MJ, Eusébio ME.
Nunes SC, et al.
Carbohydr Res. 2010 Sep 23;345(14):2048-59. doi: 10.1016/j.carres.2010.07.001. Epub 2010 Aug 13.
Carbohydr Res. 2010.
PMID: 20709315
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