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The HOMO and LUMO energies of both keto forms and
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method and basis set. FMO energy eigenvalues of the
compounds and their tautomers were used to calculate
electronic parameters such as energy band gab ΔE,
chemical hardness (η), and electronegativity (χ). The
correlation between tautomer structures and electronic
parameters of the compounds was investigated. All
calculations were performed by using the GAUSSIAN 09
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Acknowledgment. The authors are grateful to the Scientific
Research Projects Council of Kastamonu University (KU.
BAP01/2017-31).
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Journal of Heterocyclic Chemistry
DOI 10.1002/jhet