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|Type:||Artigo de periódico|
|Title:||Ft-ir And Raman Spectra And Dft Calculations On Bis(l-histidinato) Nickel(ii) Monohydrate|
Lima Jr. J.A.
Mendes Filho J.
De Menezes A.S.
|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.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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