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Identificadas 389

331

TÃTULO: 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
AUTORES: Maçôas, EMS; Khriachtchev, L; Pettersson, M; Juselius, J; Fausto, R; Räsänen, M;
PUBLICAÇÃO: 2003, FONTE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 119, NÚMERO: 22

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332

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

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333

TÃTULO: 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
AUTORES: Susana Jarmelo; Rui Fausto;
PUBLICAÇÃO: 2002, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, NÚMERO: 9

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334

TÃTULO: 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
AUTORES: Susana C. S. Bugalho; Serra, AC; Leszek Lapinski; Lurdes L S. Cristiano ; Rui Fausto;
PUBLICAÇÃO: 2002, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, NÚMERO: 10

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335

TÃTULO: 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
AUTORES: Agnieszka Andrzejewska; Leszek Lapinski; Igor Reva; Rui Fausto;
PUBLICAÇÃO: 2002, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, NÚMERO: 14

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336

TÃTULO: Molecular structure and infrared spectra of dimethyl fumarateElectronic supplementary information (ESI) available: Definition of internal symmetry coordinates, calculated frequencies, IR intensities, Raman activities, potential energy distributions and optimized conformers I, II and III. See http://www.rsc.org/suppdata/cp/b2/b203246p/ Full Text
AUTORES: Susy Lopes; Leszek Lapinski; Rui Fausto;
PUBLICAÇÃO: 2002, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, NÚMERO: 16

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337

TÃTULO: Molecular structure and infrared spectra of dimethyl malonate: A combined quantum chemical and matrix-isolation spectroscopic studyElectronic supplementary information (ESI) available: definition of internal symmetry coordinates used in the normal mode analysis of the conformers of dimethyl malonate. See http://www.rsc.org/suppdata/cp/b2/b206270b/ Full Text
AUTORES: Susy Lopes; Leszek Lapinski; Rui Fausto;
PUBLICAÇÃO: 2002, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 4, NÚMERO: 24

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338

TÃTULO: Matrix-isolation FT-IR spectra and molecular orbital calculations on neutral N,N-dimethylglycine Full Text
AUTORES: G??mez-Zavaglia, A; Reva, ID; Fausto, R;
PUBLICAÇÃO: 2002, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 5, NÚMERO: 1

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339

TÃTULO: Low temperature FT-IR and molecular orbital study of N,N-dimethylglycine methyl ester: Proof for different ground conformational states in gas phase and in condensed mediaElectronic supplementary information (ESI) available: calculated geometries and rotational constants for the most stable conformers of dimethylglycine methyl ester. See http://www.rsc.org/suppdata/cp/b2/b209311c/ Full Text
AUTORES: G??mez-Zavaglia, A; Fausto, R;
PUBLICAÇÃO: 2002, FONTE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 5, NÚMERO: 1

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340

TÃTULO: Molecular structure and infrared spectra of dimethyl fumarate
AUTORES: Lopes, S; Lapinski, L; Fausto, R;
PUBLICAÇÃO: 2002, FONTE: Physical Chemistry Chemical Physics, VOLUME: 4, NÚMERO: 16

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