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TÍTULO: Photochemistry and Vibrational Spectroscopy of the Trans and Cis Conformers of Acetic Acid in Solid Ar
AUTORES: Maçôas, EMS; Khriachtchev, L; Fausto, R; Räsänen, M;
PUBLICAÇÃO: 2004, FONTE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 108, NÚMERO: 16
INDEXADO EM: CrossRef
NO MEU: ORCID
322
TÍTULO: Self-Aggregation in Pyrrole:  Matrix Isolation, Solid State Infrared Spectroscopy, and DFT Study
AUTORES: Andrea Gómez-Zavaglia; Rui Fausto;
PUBLICAÇÃO: 2004, FONTE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 108, NÚMERO: 34
INDEXADO EM: CrossRef
NO MEU: ORCID
323
TÍTULO: Matrix isolation FTIR and theoretical study of ?-pyrone photochemistryElectronic supplementary information (ESI) available: Tables S1, S2, S3, S12 and S14 provide internal coordinates used in the normal modes analysis for ?-pyrone, 2-oxa-3-oxobicyclo[2.2.0]hex-5-ene, open-ring aldehyde?ketene isomers, cyclobutadiene and 4-formyl-2-cyclobutene-1-one. Experimental infrared spectra of ?-pyrone isolated in Xe matrix are compared with the theoretical spectra in Fig. S1. Table S4 provides the assignment of infrared observed bands and the calculated vibrational frequencies, intensities and potential energy distribution for ?-pyrone monomer. Calculated vibrational frequencies, intensities and potential energy distributions for all open-ring aldehyde?ketene conformers and for 4-formyl-2-cyclobutene-1-one monomer (forms A and B) are listed in Tables S5?S11 and Table S15, respectively. Table S13 provides the assignment of infrared observed bands and the calculated vibrational frequencies, intensities and potential energy distribution for cyclobutadiene monomer. Fig. S2 presents differential spectra showing the progress of the irradiation experiments. The optimized structure for the ?-pyrone analogue of benzvalene is shown in Fig. S3. Fig. S4 illustrates the observed photochemistry of ?-pyrone in an argon matrix. See http://www.rsc.org/suppdata/cp/b3/b309660b/  Full Text
AUTORES: Breda, S; Reva, I; Lapinski, L; Fausto, R;
PUBLICAÇÃO: 2004, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 6, NÚMERO: 5
INDEXADO EM: CrossRef
325
TÍTULO: Rotational isomerism of acetic acid isolated in rare-gas matrices: Effect of medium and isotopic substitution on IR-induced isomerization quantum yield and cis→trans tunneling rate  Full Text
AUTORES: Maçôas, EMS; Khriachtchev, L; Pettersson, M; Fausto, R; Räsänen, M;
PUBLICAÇÃO: 2004, FONTE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 121, NÚMERO: 3
INDEXADO EM: CrossRef
NO MEU: ORCID
326
TÍTULO: Acute and chronic toxicity of dimethylsulfoxide to Daphnia magna  Full Text
AUTORES: Barbosa, IR; Martins, RM; Melo, MLSE ; Soares, AMVM ;
PUBLICAÇÃO: 2003, FONTE: BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY, VOLUME: 70, NÚMERO: 6
INDEXADO EM: Scopus WOS CrossRef: 14
328
TÍTULO: Matrix-isolation and solid state low temperature FT-IR study of 2,3-butanedione (diacetyl)  Full Text
AUTORES: Gómez-Zavaglia, A; Fausto, R;
PUBLICAÇÃO: 2003, FONTE: Journal of Molecular Structure, VOLUME: 661-662
INDEXADO EM: CrossRef
NO MEU: ORCID
329
TÍTULO: Vibrational spectroscopy of cis- and trans-formic acid in solid argon  Full Text
AUTORES: Ermelinda M.S Maçôas; Jan Lundell; Mika Pettersson; Leonid Khriachtchev; Rui Fausto; Markku Räsänen;
PUBLICAÇÃO: 2003, FONTE: Journal of Molecular Spectroscopy, VOLUME: 219, NÚMERO: 1
INDEXADO EM: CrossRef
NO MEU: ORCID
330
TÍTULO: Conformational study of sarcosine as probed by matrix-isolation FT-IR spectroscopy and molecular orbital calculations  Full Text
AUTORES: Gómez-Zavaglia, A; Fausto, R;
PUBLICAÇÃO: 2003, FONTE: Vibrational Spectroscopy, VOLUME: 33, NÚMERO: 1-2
INDEXADO EM: CrossRef
NO MEU: ORCID
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