DFT: B3LYP/6-311G (d, p) vibrational analysis of bis-(diethyldithiocarbamate) zinc (II) and natural bond orbitals

AC Costa, GF Ondar, O Versiane, JM Ramos…

Index: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, , vol. 105, p. 251 - 258

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Citation Number: 8

Abstract

... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. ... the vibrational spectra, and to put in evidence almost some important molecular characteristic, such ... different nature between the calculated spectrum which supposes only one molecule without interactions ...