Theoretical spectroscopic electronic elucidation with polar and non-polar solvents (IEFPCM model), molecular docking and molecular dynamic studies on bendiocarb -antiallergic drug agent

Divya, P.; Jeba Reeda, V.S.; Selvaraj, S.; Jothy, Bena

doi:10.1016/j.molliq.2024.124895

Journal of Molecular Liquids

2024

DOI: 10.1016/j.molliq.2024.124895

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Theoretical spectroscopic electronic elucidation with polar and non-polar solvents (IEFPCM model), molecular docking and molecular dynamic studies on bendiocarb -antiallergic drug agent

P. Divya,

V.S. Jeba Reeda,

S. Selvaraj

et al.

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Cited by 12 publications

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Theoretical spectroscopic electronic elucidation with polar and non-polar solvents (IEFPCM model), molecular docking and molecular dynamic studies on bendiocarb -antiallergic drug agent

Cited by 12 publications

References 51 publications

Quantum Chemical Calculations, Spectroscopic Properties, Molecular Docking and ADMET Studies of 2-(4-Tert-Butyl-2,6-Dimethyl-3-Hydroxybenzyl)-2-Imidazoline

Quantum Chemical Calculations, Spectroscopic Properties, Molecular Docking and ADMET Studies of 2-(4-Tert-Butyl-2,6-Dimethyl-3-Hydroxybenzyl)-2-Imidazoline

Quantum computational, spectroscopic analysis, and molecular docking studies of 2-chloroethyl benzene

Quantum computational investigation into the optoelectronic and NLO properties of C8H8O3.C3H7NO2 single crystal

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