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Spectroscopic properties of N1,N5-bis[pyridine-2-methylene]-thiocarbohydrazone and its corresponding zinc (II) and nickel (II) metal complexes: A DFT and TD-DFT study.
- Source :
-
Synthetic Metals . Jul2013, Vol. 175, p174-182. 9p. - Publication Year :
- 2013
-
Abstract
- Highlights: [•] Ground-state geometric structures of all species are optimized at M06 level of theory. [•] The optical properties of all species are calculated by means of TD-M06 method. [•] Detailed analysis for electronic transitions is performed to elucidate the UV spectra. [Copyright &y& Elsevier]
Details
- Language :
- English
- ISSN :
- 03796779
- Volume :
- 175
- Database :
- Academic Search Index
- Journal :
- Synthetic Metals
- Publication Type :
- Academic Journal
- Accession number :
- 89302658
- Full Text :
- https://doi.org/10.1016/j.synthmet.2013.05.016