https://www.selleckchem.com/pr....oducts/l-kynurenine.
The modified Becke-Johnson exchange (mBJ) potential plus the generalized gradient approximation (GGA) correlation are used for the calculation of the optoelectronic properties of the C7H10N2 pyridine and C7H10N2S pyrrole. Electronic band gaps of C7H10N2 pyridine and C7H10N2S pyrrole have been determined to be 4.65 eV and 3.41 eV by band structure spectra, respectively. According to the Penn model, there is an inverse relationship between the band gap value and static dielectric constant along the x-direction. The density of states
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