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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.
Heliyon. 2020 Dec 23;6(12):e05783. doi: 10.1016/j.heliyon.2020.e05783. eCollection 2020 Dec.
Heliyon. 2020.
PMID: 33385089
Free PMC article.
Understanding the aqueous chemistry of quinoline and the diazanaphthalenes: insight from DFT study.
Enudi OC, Louis H, Edim MM, Agwupuye JA, Ekpen FO, Bisong EA, Utsu PM.
Enudi OC, et al. Among authors: utsu pm.
Heliyon. 2021 Jul 10;7(7):e07531. doi: 10.1016/j.heliyon.2021.e07531. eCollection 2021 Jul.
Heliyon. 2021.
PMID: 34296019
Free PMC article.
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Investigation on electronic structure, vibrational spectra, NBO analysis, and molecular docking studies of aflatoxins and selected emerging mycotoxins against wild-type androgen receptor.
Agwupuye JA, Neji PA, Louis H, Odey JO, Unimuke TO, Bisiong EA, Eno EA, Utsu PM, Ntui TN.
Agwupuye JA, et al. Among authors: utsu pm.
Heliyon. 2021 Jul 12;7(7):e07544. doi: 10.1016/j.heliyon.2021.e07544. eCollection 2021 Jul.
Heliyon. 2021.
PMID: 34345733
Free PMC article.
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Tailoring the band-gap, optical and fluorescent properties of 3,5-diaminobenzoic acid via functionalization with chemical groups: A DFT study.
Anyama CA, Inah B, Utsu P, Ayi AA.
Anyama CA, et al.
Talanta. 2023 Dec 1;265:124777. doi: 10.1016/j.talanta.2023.124777. Epub 2023 Jun 10.
Talanta. 2023.
PMID: 37437395
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