Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane by Tomsmith O. Unimuke, Hitler Louis, Ededet A. Eno, Ernest C. Agwamba, Adedapo S. Adeyinka

Get full text

<b>Synthesis, stereochemistry and antimicrobial activity of copper(II) and nickel(II) complexes of 4-phenylsemicarbazones</b> by Ededet A. Eno, Grace E. Iniama, Godfred A. Ayimele, Seraphine N. Esemu, Emmanuel N. Nfor, Offiong E. Offiong

Get full text

Detection of hydrogen fluoride (HF) gas by Mg12O11-X (X = S, P, N, and B) nanosurfaces by Stephen A. Adalikwu, Hitler Louis, Henry O. Edet, Innocent Benjamin, ThankGod C. Egemonye, Ededet A. Eno, Adedapo S. Adeyinka

Get full text

Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM by Ededet A. Eno, Hitler Louis, Tomsmith O. Unimuke, Terkumbur E. Gber, Idongesit J. Mbonu, Chinwendu J. Ndubisi, Stephen A. Adalikwu

Get full text

Adsorption and gas-sensing investigation of oil dissolved gases onto nitrogen and sulfur doped graphene quantum dots by Bassey E. Inah, John F. Eze, Hitler Louis, Henry O. Edet, Terkumbur E. Gber, Ededet A. Eno, Alice N. Etim, Adedapo S. Adeyinka

Get full text

Ab-initio study of structural, electronic, phonon, X-ray spectroscopy, and the optoelectronic properties of D-block metals (Cr, Mn, Co, and Ni) substitution of barium oxide based-p... by Ededet A. Eno, Daniel Etiese, Kowthaman Pathmanathan, Ernest C. Agwamba, Udochukwu G. Chukwu, Thomas O. Magu, Alexander I. Ikeuba, Adedapo S Adeyinka, Hitler Louis

Get full text

Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca12O12 Nanostructured Material by Hitler Louis, ThankGod C. Egemonye, Tomsmith O. Unimuke, Bassey E. Inah, Henry O. Edet, Ededet A. Eno, Stephen A. Adalikwu, Adedapo S. Adeyinka

Get full text

Reactive azo compounds as a potential chemotherapy drugs in the treatment of malignant glioblastoma (GBM): Experimental and theoretical studies by Akaninyene D. Udoikono, Hitler Louis, Ededet A. Eno, Ernest C. Agwamba, Tomsmith O. Unimuke, Azuaga T. Igbalagh, Henry O. Edet, Joseph O. Odey, Adedapo S. Adeyinka

Get full text

Modeling of Re(I) tricarbonyl complexes against SARS-CoV-2 receptor via DFT, in-silico molecular docking, and QSAR by Ededet A. Eno, Hitler Louis, Tomsmith O. Unimuke, Terkumbur E. Gber, Josephat A. Akpanke, Ismail O. Amodu, Amanda-Lee E. Manicum, Offiong E. Offiong

Get full text

Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol by Emmanuel E.D. Okon, Hitler Louis, Daniel Etiese, Tomsmith O. Unimuke, Gideon E. Mathias, Ededet A. Eno, Onyinye J. Ikenyirimba, Ernest C. Agwamba, Adedapo S. Adeyinka

Get full text

Transition Metal-Decorated B12N12–X (X = Au, Cu, Ni, Os, Pt, and Zn) Nanoclusters as Biosensors for Carboplatin by Innocent Benjamin, Hitler Louis, Gideon A. Okon, Suhailah W. Qader, Lucy E. Afahanam, Chidera F. Fidelis, Ededet A. Eno, Emmanuel E. Ejiofor, Amanda-Lee E. Manicum

Get full text

Investigation on electronic structure, vibrational spectra, NBO analysis, and molecular docking studies of aflatoxins and selected emerging mycotoxins against wild-type androgen re... by John A. Agwupuye, Peter A. Neji, Hitler Louis, Joseph O. Odey, Tomsmith O. Unimuke, Emmanuel A. Bisiong, Ededet A. Eno, Patrick M. Utsu, Tabe N. Ntui

Get full text

Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone by Ededet A. Eno, Faith A. Patrick-Inezi, Hitler Louis, Terkumbur E. Gber, Tomsmith O. Unimuke, Ernest C. Agwamba, Onyinye Joy Ikenyirimba, Josephat A. Akpanke, Emmanuella Oyoita, Emmanuel U. Ejiofor, Stephen Adie Adalikwu

Get full text

Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach by Alexander I. Ikeuba, Joseph E. Ntibi, Peter C. Okafor, Benedict I. Ita, Augustine U. Agobi, Fredrick C. Asogwa, Ben J. Omang, Ededet A. Eno, Hitler Loius, Stephen A. Adalikwu, Bamibola A. Abiola, Fidelis E. Abeng, Nelson A. Abang

Get full text