ProfileOfResearchers

Identified 394

331

TITLE: Vibrational spectroscopy of cis- and trans-formic acid in solid argon Full Text
AUTHORS: Ermelinda M.S Maçôas; Jan Lundell; Mika Pettersson; Leonid Khriachtchev; Rui Fausto; Markku Räsänen;
PUBLISHED: 2003, SOURCE: Journal of Molecular Spectroscopy, VOLUME: 219, ISSUE: 1

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332

TITLE: Conformational study of sarcosine as probed by matrix-isolation FT-IR spectroscopy and molecular orbital calculations Full Text
AUTHORS: Gómez-Zavaglia, A; Fausto, R;
PUBLISHED: 2003, SOURCE: Vibrational Spectroscopy, VOLUME: 33, ISSUE: 1-2

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333

TITLE: Rotational Isomerism in Acetic Acid: The First Experimental Observation of the High-Energy Conformer Full Text
AUTHORS: Ermelinda M S Maçôas; Leonid Khriachtchev; Mika Pettersson; Rui Fausto; Markku Räsänen;
PUBLISHED: 2003, SOURCE: J. Am. Chem. Soc. - Journal of the American Chemical Society, VOLUME: 125, ISSUE: 52

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334

TITLE: Low-temperature solid-state FTIR study of glycine, sarcosine and N,N-dimethylglycine: observation of neutral forms of simple ?-amino acids in the solid state Full Text
AUTHORS: G�mez-Zavaglia, A; Fausto, R;
PUBLISHED: 2003, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 5, ISSUE: 15

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335

TITLE: Vibrational spectrum and molecular structure of triphenylamine monomer: A combined matrix-isolation FTIR and theoretical studyElectronic supplementary information (ESI) available: Fig. S1 provides atom numbering and Table S1 optimized geometry parameters and rotational constants for the TPA molecule. Table S2 provides a list of calculated frequencies and descriptions for fully symmetrical (A1) vibrations in the TPA monomer. Figs. S2?S4 present changes in the TPA molecule geometry during potential energy scans with different symmetry restrictions.See http://www.rsc.org/suppdata/cp/b3/b306489a/ Full Text
AUTHORS: Igor Reva; Leszek Lapinski; Nitin Chattopadhyay; Rui Fausto;
PUBLISHED: 2003, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 5, ISSUE: 18

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336

TITLE: Reactive vibrational excitation spectroscopy of formic acid in solid argon: Quantum yield for infrared induced trans→cis isomerization and solid state effects on the vibrational spectrum Full Text
AUTHORS: Maçôas, EMS; Khriachtchev, L; Pettersson, M; Juselius, J; Fausto, R; Räsänen, M;
PUBLISHED: 2003, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 119, ISSUE: 22

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337

TITLE: Molecular structure and infrared spectra of dimethyl oxalateElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b107232n/ Full Text
AUTHORS: Susy Branco Lopes; Leszek Lapinski; Rui Fausto;
PUBLISHED: 2002, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, ISSUE: 6

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338

TITLE: Structure and vibrational spectra of α-hydroxy isobutyric acid in the crystalline and glassy phases and isolated in inert gas matrixesElectronic supplementary information (ESI) available: Predicted geometries for high energy conformers of HIBA (Table S1), definition of symmetry coordinates used in the vibrational calculations (Table S2) and calculated spectra for the experimentally relevant conformers and potential energy distributions (Tables S3–S5). See http://www.rsc.org/suppdata/cp/b1/b110949a/ Full Text
AUTHORS: Susana Jarmelo; Rui Fausto;
PUBLISHED: 2002, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, ISSUE: 9

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339

TITLE: 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. Definition of internal symmetry coordinates used in the normal mode analysis. Experimental spectrum of polycrystalline 5-chlorotetrazole and calculated spectrum for the 1H-tautomer. See http://www.rsc.org/suppdata/cp/b1/b111329c/ Full Text
AUTHORS: Susana C. S. Bugalho; Serra, AC; Leszek Lapinski; Lurdes L S. Cristiano ; Rui Fausto;
PUBLISHED: 2002, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, ISSUE: 10

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340

TITLE: Matrix isolation FTIR and molecular orbital study of E and Z acetaldoxime monomersElectronic supplementary information (ESI) available: Internal coordinates for the Z and E isomers, calculated barriers for the rotation of methyl groups and the relative energies of the relevant stationary points for acetaldoxime. See http://www.rsc.org/suppdata/cp/b2/b203240f/ Full Text
AUTHORS: Agnieszka Andrzejewska; Leszek Lapinski; Igor Reva; Rui Fausto;
PUBLISHED: 2002, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, ISSUE: 14

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