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

[摘要] 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

[学科分类] 光谱学