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M. Mehdi Koleini

Kharazmi University

Theran, Iran

Mofateh Avenue

Tehran, 31979-3755

Iran

  • Kharazmi University

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Scholarly Papers (1)

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On the Protonated Forms of Alkyl-Bonded Polycyclic Aromatic Heterocycles: Structure Prediction and Characterization Using Density Functional Theory

Number of pages: 23 Posted: 15 Nov 2022
Mohammad Amin Esmaeilbeig, Mohammad Khorram, M. Mehdi Koleini, Shahab Ayatollahi and Amin Reza Zolghadr
Shiraz University, Shiraz University, Kharazmi University, Sharif University of Technology and Shiraz University
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Abstract:

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Polycyclic aromatic heterocycles, Density Functional Theory, FTIR, Frontier Orbitals, Protonation