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Type: Artigo de periódico
Title: Ft-ir And Raman Spectra And Dft Calculations On Bis(l-histidinato) Nickel(ii) Monohydrate
Author: Maia J.R.
Lima Jr. J.A.
Freire P.T.C.
Mendes Filho J.
Nogueira C.E.S.
Teixeira A.M.R.
De Menezes A.S.
Remedios C.M.R.
Cardoso L.P.
Abstract: In this work the Fourier transform infrared and the Raman spectra of bis(L-hisidinato)nickel(II) monohydrate were recorded at room temperature. Optimized geometry and vibrational frequencies were obtained by means of Density Functional Theory (DFT). Experimental and theoretical vibrational spectra were compared and a complete analysis of the modes was done in terms of the Potential Energy Distribution (PED). © 2013 Elsevier B.V. All rights reserved.
Rights: fechado
Identifier DOI: 10.1016/j.molstruc.2013.09.042
Date Issue: 2013
Appears in Collections:Unicamp - Artigos e Outros Documentos

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