Theoretical study on the electronic, optoelectronic, linear and non linear optical properties and UV–Vis Spectrum of Coronene and Coronene substituted with Chlorine

We have study electronic, optoelectronic, linear and nonlinear optical; thermodynamic properties and UV–Vis Spectrum of Coronene and Coronene substituted with Chlorine using time-dependent density functional theory TD-DFT (TD-wB97XD, TD-B3LYP, TD-LSDA and TD-CCSD(T)). We quantified the effect of sub...

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