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|Type:||Artigo de periódico|
|Title:||FT-IR and Raman spectra and DFT calculations on bis(L-histidinato)nickel(II) monohydrate|
de Menezes, AS
|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). (C) 2013 Elsevier B.V. All rights reserved.|
Amino acid complexes
|Editor:||Elsevier Science Bv|
|Citation:||Journal Of Molecular Structure. Elsevier Science Bv, v. 1054, n. 143, n. 149, 2013.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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