Configuration interaction and relaxation effects on generalized and optical oscillator strengths of the H2O molecule: The X1A1→A1B1 transition
Giannerini, Tiago, Borges, Itamar, Hollauer, Eduardo
Published in Journal of electron spectroscopy and related phenomena (01.03.2007)
Published in Journal of electron spectroscopy and related phenomena (01.03.2007)
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Journal Article
Fourier-transform infrared spectrum of aspartate hydroxo-aqua nickel (II) complex and DFT-B3LYP/3-21G and 6-311G structural and vibrational calculations
Versiani Cabral, Otávio, Téllez S, Claudio A., Giannerini, Tiago, Felcman, Judith
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (2005)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (2005)
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Journal Article
Configuration interaction and relaxation effects on generalized and optical oscillator strengths of the H 2O molecule: The X 1A 1 → A 1B 1 transition
Giannerini, Tiago, Borges, Itamar, Hollauer, Eduardo
Published in Journal of electron spectroscopy and related phenomena (2007)
Published in Journal of electron spectroscopy and related phenomena (2007)
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Journal Article
Fourier-transform infrared and Raman spectra of cysteine dichloride cadmium(II) anion DFT: B3LYP/3-21G(d) structural and vibrational calculations
Faget, Grisset, Felcman, Judith, Giannerini, Tiago, Téllez, Claudio A
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.07.2005)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.07.2005)
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Journal Article
O uso de pseudopotenciais e modelos HF/MP2/DFT na previsão de freqüências vibracionais em complexos metálicos The use of pseudopotentials and HF/MP2/DFT models for the prediction of vibrational frequencies of metal complexes
Tiago Giannerini, Claudio Alberto Téllez Soto, Eduardo Hollauer
Published in Química nova (01.04.2004)
Published in Química nova (01.04.2004)
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Journal Article
Fourier transform infrared and Raman spectra: Semi empirical AM1 and PM3; MP2/DZV and DFT/B3LYP-6-31G(d) ab initio calculations for dimethylterephthalate (DMT)
Téllez S, Claudio A, Hollauer, Eduardo, Giannerini, Tiago, Pais da Silva, M.I, Mondragón, M.A, Rodrı́guez T, J.R, Castaño, V.M
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.07.2004)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.07.2004)
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Journal Article