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This researchworkhas assessedmanyMinnesotadensity functionals to find theirmolecular structure and electronic properties possessed by SYBR green I (SYBRGI) and ethidium bromide (EtBr) nucleic acid stains. In the determination of the global descriptors that come up fromconceptual density functional theory (CDFT), the processes include: Self-Consistent Field EnergyDifferences (∆SCF) and higher occupiedmolecular orbital (HOMO) and lower unoccupied molecular orbital (LUMO) frontier orbitals energies. Regarding the deduced outcomes for the conceptual DFT indices, many of the descriptors have been adjusted to achieve the “Koopmans inDFT (KID)” process. It has also been shown that the only density functionals that confirm this approximation are the range-separated hybrids (RSH).

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Assessment of the Validity of Some Minnesota Density Functionals for the Prediction of the Chemical Reactivity of the SYBR Green I and Ethidium Bromide Nucleic Acid Stains