John A. Agwupuye

Electronic structure investigation of the stability, reactivity, NBO analysis, thermodynamics, and the nature of the interactions in methyl-substituted imidazolium-based ionic liquids

John A. Agwupuye, Hitler Louis, Tomsmith O. Unimuke et al. · Journal of Molecular Liquids · 2021 · 109 citations

Natural Sciences, Chemistry, Physics +15

RETRACTED: Aromaticity indices, electronic structural properties, and fuzzy atomic space investigations of naphthalene and its aza-derivatives

Moses M. Edim, Obieze C. Enudi, Bassey B. Asuquo et al. · Heliyon · 2021 · 68 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

RETRACTED: Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3,6-difluoro-p-xylene, 3,6-dichloro-p-xylene and 3,6-dibromo-pxylene: DFT study

Emmanuel A. Bisong, Hitler Louis, Tomsmith O. Unimuke et al. · Heliyon · 2020 · 60 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +13

RETRACTED: Investigation on electronic structure, vibrational spectra, NBO analysis, and molecular docking studies of aflatoxins and selected emerging mycotoxins against wild-type androgen receptor

John A. Agwupuye, Peter Amba Neji, Hitler Louis et al. · Heliyon · 2021 · 48 citations · Full text

Natural Sciences, Biochemistry, Chemistry +17

Vibrational Characterization and Molecular Electronic Investigations of 2-acetyl-5-methylfuran using FT-IR, FT-Raman, UV–VIS, NMR, and DFT Methods

Victoria M. Bassey, Chioma G. Apebende, Precious S. Idante et al. · Journal of Fluorescence · 2022 · 45 citations

Natural Sciences, Chemistry, Physics +17