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Found 16 results
Filtros: Autor is Fausto, Rui  [Clear All Filters]
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Nunes CM, Pereira NAM, Reva I, Amado PSM, Cristiano MLS, Fausto R. Bond-Breaking/Bond-Forming Reactions by Vibrational Excitation: Infrared-Induced Bidirectional Tautomerization of Matrix-Isolated Thiotropolone. The Journal of Physical Chemistry Letters. 2020;11(19):8034 - 8039. doi:10.1021/acs.jpclett.0c0227210.1021/acs.jpclett.0c02272.s001
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Gómez-Zavaglia A, Kaczor A, Coelho D, Cristiano MLS, Fausto R. Conformational and structural analysis of 2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide as probed by matrix-isolation spectroscopy and quantum chemical calculations. Journal of Molecular Structure. 2009;919(1-3):271 - 276. doi:10.1016/j.molstruc.2008.09.013
Gómez-Zavaglia A, Kaczor A, Almeida R, Cristiano MLS, Fausto R. Conformational Space of the P seudo saccharin Allyl Ether 3-(Allyloxy)-1,2-benzisothiazole 1,1-Dioxide in Gas Phase and in Rare Gas Matrices. The Journal of Physical Chemistry A. 2008;112(8):1762 - 1772. doi:10.1021/jp0770918
Gómez-Zavaglia A, Kaczor A, Almeida R, Cristiano MLS, Fausto R. Conformational space of the Pseudosaccharin allyl ether 3-(allyloxy)-1,2-benzisothiazole 1,1-dioxide in gas phase and in rare gas matrices. J Phys Chem A. 2008;112(8):1762-72. doi:10.1021/jp0770918
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Ismael A, Abe M, Fausto R, Cristiano MLS. Insights into the photochemistry of 5-aminotetrazole derivatives with applications in coordination chemistry. Effect of the saccharyl moiety on the photostabilityAbstract. Pure and Applied Chemistry. 2020;92(1):49 - 62. doi:10.1515/pac-2019-0402
Ismael A, Gago DJP, Cabral LIL, Fausto R, Cristiano MLS. Investigations into the Mechanism of Solvolysis of 3-aryloxybenzisothiazoles. Croatica Chemica Acta. 2014;87(4):363 - 373. doi:10.5562/cca2478
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Bugalho SCS, Maçôas EMS, Cristiano MLS, Fausto R. Low temperature matrix-isolation and solid state vibrational spectra of tetrazole. Physical Chemistry Chemical Physics. 2001;3(17):3541 - 3547. doi:10.1039/b103344c
Bugalho SCS, Serra AC, Lapinski L, Cristiano MLS, Fausto R. Low temperature matrix-isolation and solid state vibrational spectra of 5-chlorotetrazoleElectronic supplementary information (ESI) available: Calculated molecular geometries, rotational constants, energies and dipole moments. . Physical Chemistry Chemical Physics. 2002;4(10):1725 - 1731. doi:10.1039/b111329c
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Kaczor A, Almeida R, Gómez-Zavaglia A, Cristiano MLS, Fausto R. Molecular structure and infrared spectra of the monomeric 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide (methyl pseudosaccharyl ether). Journal of Molecular Structure. 2008;876(1-3):77 - 85. doi:10.1016/j.molstruc.2007.06.004
Ismael A, Paixão JAntónio, Fausto R, Cristiano MLS. Molecular structure of nitrogen-linked methyltetrazole-saccharinates. Journal of Molecular Structure. 2012;1023:128 - 142. doi:10.1016/j.molstruc.2012.04.018
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Brás EM, Cabral LIL, Amado PSM, Abe M, Fausto R, Cristiano MLS. Photoinduced Reactivity in a Dispiro-1,2,4-trioxolane: Adamantane Ring Expansion and First Direct Observation of the Long-Lived Triplet Diradical Intermediates, J Phys Chem A 124(21) (2020). The Journal of Physical Chemistry A. 2020;124(21):4202 - 4210. doi:10.1021/acs.jpca.0c0197410.1021/acs.jpca.0c01974.s001
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Horta P, Kuş N, Henriques MSofia C, et al. Quinolone-Hydroxyquinoline Tautomerism in Quinolone 3-Esters. Preserving the 4-Oxoquinoline Structure To Retain Antimalarial Activity. J Org Chem. 2015;80(24):12244-57. doi:10.1021/acs.joc.5b02169
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Frija LMT, Reva I, Ismael A, Coelho DV, Fausto R, Cristiano MLS. Sigmatropic rearrangements in 5-allyloxytetrazoles. Org Biomol Chem. 2011;9(17):6040-54. doi:10.1039/c1ob05460k
Cabral LIL, Brás E, Henriques M, et al. Synthesis, Structure and Cytotoxicity of a Novel Sulphanyl-Bridged Thiadiazolyl-Saccharinate Conjugate. The Relevance of S…N Interaction. Chemistry - A European Journal. 2017. doi:10.1002/chem.201705319
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Bugalho SCS, Lapinski L, Cristiano MLS, Frija LMT, Fausto R. Vibrational spectra and structure of 1-phenyltetrazole and 5-chloro-1-phenyltetrazole. Vibrational Spectroscopy. 2002;30(2):213 - 225. doi:10.1016/S0924-2031(02)00028-0