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Sanjeev Kumar Mishra

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Open access Aug 2026

A Comparative DFT Study on the Impact of Heteroatom (O, N, and S) Variation on Aromatic Character

: Aromaticity cannot be measured or quantified directly by a single experiment. However, theoretical methods are used to assess aromaticity based on different magnetic, electronic, energetic, and structural indices. The aim of this study is to analyze, how the substitution of carbon with heteroatoms like O, N, and S ef...

Sanjeev Kumar Mishra, Kulsum Husain, Jyoti Tyagi · 0 citations

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