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Ü. Erdem

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Open access Sep 2026

Theoretical Investigation of Vibrational, Structural and Electronic Properties of N-Ethylacetanilide Using Quantum Chemical Calculation Methods

Theoretical investigation of title N-ethylacetanilide compound is carried out using density functional theory (DFT) and ab initio Hartree Fock (HF) with the B3LYP/6-31+G(d,p) level of theory. Molecular geometries, including bond lengths and bond angles, for the most optimized structure are calculated at both the HF and...

A. Ertürk, Türker Akkoyunlu, Ü. Erdem et al. · 0 citations

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