Article ID Journal Published Year Pages File Type
7673275 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2014 51 Pages PDF
Abstract

- The assignments made with only reasonable deviations from the experimental values.
- The NBO result reflects the charge transfer due to bonding to anti-bonding orbitals.
- Theoretical UV-Vis spectral analysis was predicted mainly due to π → π∗ type.
- The MEP map was also analysed.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
Authors
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