Molecular structure, electronic, structural, topological analyses with solvents (water, chloroform, acetone and benzene) based on IEFPCM investigation and Hirshfeld analysis on 2-acetyl pyridine

Vennila, M.; Muthu, S.; Senthil, A.; Bharanidharan, T.; Malar Wezhli, M.; Khaled, Jamal M.; Abbas, Ghulam; Kadaikunnan, Shine

doi:10.1016/j.molliq.2023.122851

Journal of Molecular Liquids

2023

DOI: 10.1016/j.molliq.2023.122851

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Molecular structure, electronic, structural, topological analyses with solvents (water, chloroform, acetone and benzene) based on IEFPCM investigation and Hirshfeld analysis on 2-acetyl pyridine

M. Vennila,

S. Muthu,

A. Senthil

et al.

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Cited by 4 publications

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Molecular structure, electronic, structural, topological analyses with solvents (water, chloroform, acetone and benzene) based on IEFPCM investigation and Hirshfeld analysis on 2-acetyl pyridine

Cited by 4 publications

References 50 publications

Solvent effects on spectroscopic, electronic, and topological analyses, Hirshfeld surface, ADME, and molecular docking studies on antiviral pyridine carboxamide derivatives

Solvent effects on spectroscopic, electronic, and topological analyses, Hirshfeld surface, ADME, and molecular docking studies on antiviral pyridine carboxamide derivatives

Shrimp shell waste-modified natural wood and its use as a reservoir of corrosion inhibitor (L-arginine) for brass in 3% NaCl medium: Experimental and theoretical studies

Synthesis, experimental and theoretical spectra, electronic and medicinal properties of 3-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-ethoxy-4H-1,2,4-triazole

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