DFT Study for the Spectroscopic and Structural Analysis of p-Dimethylaminoazobenzene

The study under consideration represents the computational calculations of Azo-based direct dye named p-(dimethylamino)azobenzene (DMAB) under the effect of solvents with different relative permittivities. A density functional theory (DFT) method at the B3LYP level with 6-311G++ was applied for the...

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Bibliographic Details
Main Authors: Majid Ali, Asim Mansha, Sadia Asim, Muhammad Zahid, Muhammad Usman, Narmeen Ali
Format: Article
Language:English
Published: Wiley 2018-01-01
Series:Journal of Spectroscopy
Online Access:http://dx.doi.org/10.1155/2018/9365153
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