New halo-enaminones as potential CNS drugs: Synthesis, characterization, DFT, NLO, molecular docking, and ADMET analysis

Nimbus, L C; Santhakumar, Yeswanth Kumar; Laya Shanu, K; Ramanathan, Padmanaban; Swu, Toka

doi:10.1016/j.molstruc.2024.138756

Journal of Molecular Structure

2024

DOI: 10.1016/j.molstruc.2024.138756

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New halo-enaminones as potential CNS drugs: Synthesis, characterization, DFT, NLO, molecular docking, and ADMET analysis

L C Nimbus,

Yeswanth Kumar Santhakumar,

K Laya Shanu

et al.

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A comparative theoretical study on the structural, spectral, microtopology exploration (ELF, RDG, IRI, TDM), NBO and nonlinear optical properties of Red170 from different solvents and substituents

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New halo-enaminones as potential CNS drugs: Synthesis, characterization, DFT, NLO, molecular docking, and ADMET analysis

Cited by 1 publication

References 37 publications

A comparative theoretical study on the structural, spectral, microtopology exploration (ELF, RDG, IRI, TDM), NBO and nonlinear optical properties of Red170 from different solvents and substituents

A comparative theoretical study on the structural, spectral, microtopology exploration (ELF, RDG, IRI, TDM), NBO and nonlinear optical properties of Red170 from different solvents and substituents

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