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…

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

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被引用次数: 8

摘要

... 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 ...