Understanding the aqueous chemistry of quinoline and the diazanaphthalenes: insight from DFT study

por Enudi, Obieze C., Louis, Hitler, Edim, Moses M., Agwupuye, John A., Ekpen, Francis O., Bisong, Emmanuel A., Utsu, Patrick M.
Publicado 2021

Synthesis, spectral characterization, and theoretical investigation of the photovoltaic properties of (E)-6-(4-(dimethylamino)phenyl)diazenyl)-2-octyl-benzoisoquinoline-1, 3-dione

por Ofem, Mbang I., Louis, Hitler, Agwupuye, John A., Ameuru, Umar S., Apebende, Gloria C., Gber, Terkumbur E., Odey, Joseph O., Musa, Neksumi, Ayi, Ayi A.
Publicado 2022

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

por Bisong, Emmanuel A., Louis, Hitler, Unimuke, Tomsmith O., Odey, Joseph O., Ubana, Emmanuel I., Edim, Moses M., Tizhe, Fidelis Timothy, Agwupuye, John A., Utsu, Patrick M.
Publicado 2020

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

por Agwupuye, John A., Neji, Peter A., Louis, Hitler, Odey, Joseph O., Unimuke, Tomsmith O., Bisiong, Emmanuel A., Eno, Ededet A., Utsu, Patrick M., Ntui, Tabe N.
Publicado 2021

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

por Edim, Moses M., Enudi, Obieze C., Asuquo, Bassey B., Louis, Hitler, Bisong, Emmanuel A., Agwupuye, John A., Chioma, Apebende G., Odey, Joseph O., Joseph, Innocent, Bassey, Francisca I.
Publicado 2021