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Chemical effect of alkaline-earth metals (Be, Mg, Ca) substitution of BFe2XH hydride perovskites for applications as hydrogen storage materials: A DFT perspective

International Journal of Hydrogen Energy
2024-08 | Journal article
Contributors: Favour A. Nelson; Ali Basem; Dheyaa J. Jasim; Terkumbur E. Gber; Magu T. Odey; Abdullah Faiz Al Asmari; Saiful Islam
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Crossref

Modeling of Dipeptide Sulfonamides as Anti-Plasmodial Drugs: Synthesis, Characterization, DFT and In Silico Studies

Chemistry Africa
2024-07 | Journal article
Contributors: Ogechi C. Ekoh; Rawlings A. Timothy; Fredrick C. Asogwa; Terkumbur E. Gber; Alexander I. Ikeuba; David I. Ugwu; Hitler Louis
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Quantum capacitances of transition metal-oxides (CoO, CuO, NiO, and ZnO) doped graphene oxide nanosheet: Insight from DFT computation

Chemical Physics Impact
2024-06 | Journal article
Contributors: Idongesit J. Mbonu; Ernest E. Ekereke; Terkumbur E. Gber; Cookey Iyen; Ismail Hossain; Godwin O. Egah; Ernest C. Agwamba; Adedapo S. Adeyinka; Hitler Louis
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Solvation effects on the excitation dynamics, structural and photorelaxation, quantum chemical investigation, and photophysical properties of 2D p-expanded quinoidal terthiophene (2DQTTs): Outlook from Ab-initio calculations

Computational and Theoretical Chemistry
2024-06 | Journal article
Contributors: Thomas O. Magu; Terkumbur E. Gber; Rasaq A. Adams; MaryAnn A. Odume; Sunday S. Ikiensikimama
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Boron and oxygen decorated Zn-doped aluminum/boron nitride and graphene/boron nitride heterostructures for the adsorption of phosgene gas: Density functional theory outlook

Computational and Theoretical Chemistry
2024-03 | Journal article
Contributors: Stephen A. Adalikwu; Henry O. Edet; Terkumbur E. Gber; Adedapo S. Adeyinka; Hitler Louis
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Effect of d-block metals (M = Ti, Zr, Hf) decorated fullerenes M@C60 as sensor nanostructured materials for volatile organic compounds (VOCs): Approach from computational study

Inorganic Chemistry Communications
2024-02 | Journal article
Contributors: Victoria M. Bassey; Terkumbur E. Gber; Immaculata J. Ikot; Asad Syed; Goodness J. Ogunwale; Moses M. Edim; Muyiwa M. Orosun; Hitler Louis
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Electronic Structure Property and Disposal Efficiency of 2,2-Dichloropropionic Acid Using Metalloid (B, Si and Ge)-Decorated Gallium Nano-clusters (Ga12X12 (X = N, O))

Journal of Computational Biophysics and Chemistry
2024-02 | Journal article
Contributors: Fredrick C. Asogwa; Hitler Louis; Terkumbur E. Gber; Bienfait K. Isamura; Stephen A. Adalikwu
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Anti-hypertensive properties of 2-[N-(4-methylbenzenesulfonyl)-1-phenylformamido]-n-(4-nitrophenyl)-3-phenylpropenamide: Experimental and theoretical studies

Chemical Physics Impact
2023 | Journal article
EID:

2-s2.0-85145689380

Part of ISSN: 26670224
Contributors: Ugwu, D.I.; Asogwa, F.C.; Olisaeloka, S.G.; Ezugwu, J.A.; Ogbuke, S.C.; Benjamin, I.; Louis, H.; Gber, T.E.; Ugwu, M.C.; Eze, F.U. et al.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Anti-inflammatory, Immunomodulatory and DFT Evaluation of the Reactivity Indexes of Phytochemicals Isolated from Harungana madagascariensis

Chemistry Africa
2023 | Journal article
EID:

2-s2.0-85144412356

Part of ISSN: 25225766 25225758
Contributors: Asogwa, F.C.; Apebende, C.G.; Ugodi, G.W.; Ebo, P.; Louis, H.; Ikeuba, A.I.; Asogwa, C.J.; Gber, T.E.; Ikot, I.J.; Owen, A.E.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Design of new bithieno thiophene (BTTI) central core-based small molecules as efficient hole transport materials for perovskite solar cells and donor materials for organic solar cells

Materials Science and Engineering B: Solid-State Materials for Advanced Technology
2023 | Journal article
EID:

2-s2.0-85149061212

Part of ISSN: 09215107
Contributors: Abbas, F.; Mohammadi, M.D.; Louis, H.; Amodu, I.O.; Charlie, D.E.; Gber, T.E.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Detection of hydroxymethanesulfonate (HMS) by transition metal-anchored fullerene nanoclusters

Journal of the Iranian Chemical Society
2023 | Journal article
EID:

2-s2.0-85143419656

Part of ISSN: 17352428 1735207X
Contributors: Louis, H.; Gber, T.E.; Charlie, D.E.; Egemonye, T.G.C.; Orosun, M.M.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Heteroatom (B, N, P, and S)-Doped Cyclodextrin as a Hydroxyurea (HU) Drug Nanocarrier: A Computational Approach

ACS Omega
2023 | Journal article
EID:

2-s2.0-85149831459

Part of ISSN: 24701343
Contributors: Afahanam, L.E.; Louis, H.; Benjamin, I.; Gber, T.E.; Ikot, I.J.; Manicum, A.E.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Heteroatoms (B, N, and P) doped on nickel-doped graphene for phosgene (COCl<sub>2</sub>) adsorption: insight from theoretical calculations

Materials Today Sustainability
2023 | Journal article
EID:

2-s2.0-85146056692

Part of ISSN: 25892347
Contributors: Odey, D.O.; Edet, H.O.; Louis, H.; Gber, T.E.; Nwagu, A.D.; Adalikwu, S.A.; Adeyinka, A.S.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Heteroatoms (B, N, S) doped quantum dots as potential drug delivery system for isoniazid: insight from DFT, NCI, and QTAIM

Heliyon
2023 | Journal article
EID:

2-s2.0-85146087099

Part of ISSN: 24058440
Contributors: Edet, H.O.; Louis, H.; Gber, T.E.; Idante, P.S.; Egemonye, T.C.; Ashishie, P.B.; Oyo-Ita, E.E.; Benjamin, I.; Adeyinka, A.S.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Hydrothermal Synthesis, crystal structure, DFT studies, and molecular docking of Zn-BTC MOF as potential antiprotozoal agents

Journal of Molecular Structure
2023 | Journal article
EID:

2-s2.0-85145253605

Part of ISSN: 00222860
Contributors: Anyama, C.A.; Louis, H.; Inah, B.E.; Gber, T.E.; Ogar, J.O.; Ayi, A.A.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Modeling of Al<sub>12</sub>N<sub>12</sub>, Mg<sub>12</sub>O<sub>12</sub>, Ca<sub>12</sub>O<sub>12</sub>, and C<sub>23</sub>N nanostructured as potential anode materials for sodium-ion battery

Journal of Solid State Electrochemistry
2023 | Journal article
EID:

2-s2.0-85139413111

Part of ISSN: 14330768 14328488
Contributors: Louis, H.; Isang, B.B.; Unimuke, T.O.; Gber, T.E.; Amodu, I.O.; Ikeuba, A.I.; Adeyinka, A.S.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Modeling of Anthranilhydrazide (HL1) Salicylhydrazone and Its Copper Complexes Cu(I) and Cu(II) as a Potential Antimicrobial and Antituberculosis Therapeutic Candidate

Polycyclic Aromatic Compounds
2023 | Journal article
EID:

2-s2.0-85150935818

Part of ISSN: 15635333 10406638
Contributors: Utsu, P.M.; Gber, T.E.; Nwosa, D.O.; Nwagu, A.D.; Benjamin, I.; Ikot, I.J.; Eno, E.A.; Offiong, O.E.; Adeyinka, A.; Louis, H.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Modeling of magnesium-decorated graphene quantum dot nanostructure for trapping AsH3, PH3 and NH3 gases

RSC Advances
2023 | Journal article
Contributors: Ernest C. Agwamba; Hitler Louis; Praise O. Olagoke; Terkumbur E. Gber; Gideon A. Okon; Chidera F. Fidelis; Adedapo S. Adeyinka
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Molecular modeling, DFT studies and biological evaluation of methyl 2,8-dichloro-1,2-dihydroquinoline-3-carboxylate

Chemical Physics Impact
2023 | Journal article
EID:

2-s2.0-85144869464

Part of ISSN: 26670224
Contributors: Agwupuye, J.A.; Gber, T.E.; Edet, H.O.; Zeeshan, M.; Batool, S.; Duke, O.E.E.; Adah, P.O.; Odey, J.O.; Egbung, G.E.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Natural Andrographolide Isolated from Andrographis paniculata as Potent Epileptic Agent: Spectroscopy, Molecular Structure, and Molecular Docking Investigation

Chemistry Africa
2023 | Journal article
EID:

2-s2.0-85151968016

Part of ISSN: 25225766 25225758
Contributors: Owen, A.E.; Louis, H.; Ejiofor, E.U.; Emori, W.; Gber, T.E.; Benjamin, I.; Cheng, C.-R.; Orosun, M.M.; Ling, L.; Adeyinka, A.S.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Quantum capacitances of alkaline-earth metals: Be, Ca, and Mg integrated on Al<sub>12</sub>N<sub>12</sub> and Al<sub>12</sub>P<sub>12</sub> nanostructured—insight from DFT approach

Monatshefte fur Chemie
2023 | Journal article
EID:

2-s2.0-85150658597

Part of ISSN: 00269247
Contributors: Ekereke, E.E.; Ikechukwu, O.C.; Louis, H.; Gber, T.E.; Charlie, D.E.; Ikeuba, A.I.; Adeyinka, A.S.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Synthesis, spectral characterization, DFT studies, and computational screening of 4-amino-3-mercapto-5-methyl-1,2,4-triazole and its cadmium(II) mixed ligands complexes as potential antimalaria drug

Vietnam Journal of Chemistry
2023 | Journal article
EID:

2-s2.0-85149881020

Part of ISSN: 25728288
Contributors: Eno, E.A.; Okon, E.E.D.; Louis, H.; Obot, N.U.; Adalikwu, S.A.; Unimuke, T.O.; Gber, T.E.; Chukwu, U.G.; Ekoja, P.; Ogar, J. et al.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier
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Synthesis, Vibrational Analysis, Electronic Structure Property Investigation and Molecular Simulation of Sulphonamide-Based Carboxamides against Plasmodium Species

ChemistrySelect
2023 | Journal article
EID:

2-s2.0-85147305181

Part of ISSN: 23656549
Contributors: Asogwa, F.C.; Eze, F.U.; Mba, J.O.; Ezugwu, J.A.; Louis, H.; Gber, T.E.; Ogbuke, S.C.; Ugwu, M.C.; Adeyinka, A.S.; Ugwu, D.I.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Toxicity, Pharmacokinetic Profile, and Compound-Protein Interaction Study of Polygonum minus Huds Extract

Applied Biochemistry and Biotechnology
2023 | Journal article
EID:

2-s2.0-85156180599

Part of ISSN: 15590291 02732289
Contributors: Qader, S.W.; Ozdemir, M.; Benjamin, I.; Chima, C.M.; Suvitha, A.; Rani, J.C.; Gber, T.E.; Kothandan, G.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Yttrium- and zirconium-decorated Mg12O12–X (X = Y, Zr) nanoclusters as sensors for diazomethane (CH2N2) gas

RSC Advances
2023 | Journal article
Contributors: Terkumbur E. Gber; Hitler Louis; Obinna C. Ngana; Ismail O. Amodu; Ernest E. Ekereke; Innocent Benjamin; Stephen A. Adalikwu; Adedapo Adeyinka
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Adsorption and gas-sensing investigation of oil dissolved gases onto nitrogen and sulfur doped graphene quantum dots

Chemical Physics Impact
2023-12 | Journal article
Contributors: Bassey E. Inah; John F. Eze; Hitler Louis; Henry O. Edet; Terkumbur E. Gber; Ededet A. Eno; Alice N. Etim; Adedapo S. Adeyinka
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Antilymphoma activities of benzo bisthiazole derivative by molecular docking, impact of solvation, quantum chemical study, and spectroscopic (FT-IR, UV, NMR) investigation

Chemical Physics Impact
2023-12 | Journal article
Contributors: Uzitem J. Undiandeye; Bassey E. Inah; Obinna C. Godfrey; Wilfred Emori; Imojara Anna; Bernard C. Okoro; Terkumbur E. Gber; Emmanuel U. Ejiofor; Hitler Louis
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Functionalized boron doped graphene (BGP) as smart nanocarrier for delivery of hydroxyurea (HU) drug

Chemical Physics Impact
2023-12 | Journal article
Contributors: Terkumbur E. Gber; Benjamin Etinwa; Innocent Benjamin; Ernest Ekereke; Offiong E. Offiong; Adedapo S. Adeyinka; Hitler Louis
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Metals (B, Ni) encapsulation of graphene/PEDOT hybrid materials for gas sensing applications: A computational study

Talanta Open
2023-12 | Journal article
Contributors: Terkumbur E. Gber; Christopher A. Agida; Hitler Louis; Providence B. Ashishie; Daniel Oche; Ogonna F. Ede; Ernest C. Agwamba; Adedapo S. Adeyinka
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Metals (Ga, In) encapsulated aluminum nitride nanotubes (AlNNTs) as nonenzymatic sensors for biomarker volatiles of liver cirrhosis: A computational study

Journal of Molecular Liquids
2023-12 | Journal article
Contributors: Obinna C. Godfrey; Hitler Louis; Abdullah G. Al-Sehemi; Terkumbur E. Gber; Yasar N. Kavil; Ogonna F. Ede; Faith O. Akor; Adedapo S. Adeyinka
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Nano-enhanced Drug Delivery of Dacarbazine using Heteroatoms (B, N, P, S) doped Ag-Functionalized Silicene Nanomaterials: Insight from Density Functional Theory

Chemical Physics Impact
2023-12 | Journal article
Contributors: Victoria M. Bassey; Emmanuel E.D. Okon; Hitler Louis; Innocent Benjamin; Kelechi Chukwuemeka; Terkumbur E. Gber; Miracle C. Ezekiel; Suhaila W. Qader; Adedapo S. Adeyinka
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Phosphorus encapsulated gallium nitride and aluminum nitride nanotubes as nonenzymatic sensors for fructose, glucose, and xylose sugars as biomarkers for diabetes-mellitus: Outlook from computational study

Chemical Physics Impact
2023-12 | Journal article
Contributors: Anna Imojara; Joyce E. Ishegbe; Hewa Abdullah; Henry O. Edet; Terkumbur E. Gber; Maxwell-Borjor A. Eba; Anthony M.S. Pembere; Hitler Louis
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Theoretical modelling of the structure, reactivity, and the application of Co (II), Cu (II), and Ni (II) Schiff base complexes as sensor materials for phosgene (COCl2) gas

Chemical Physics Impact
2023-12 | Journal article
Contributors: Celine Ngwang; Felicite Majoumo-Mbe; Emmanuel N. Nfor; Mirabel Akongwi; Henry O. Edet; Edward A. Afu; Terkumbur E. Gber; Rawlings A. Timothy; Nwokolo A. Obianuju; Adedapo S. Adeyinka et al.
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Unraveling the impact of polar solvation on the molecular geometry, spectroscopy (FT-IR, UV, NMR), reactivity (ELF, NBO, HOMO-LUMO) and antiviral inhibitory potential of Cissampeline by molecular docking approach

Chemical Physics Impact
2023-12 | Journal article
Contributors: Michael O. Odey; Ekpo E. Antai; Eze A. Adindu; Obinna C. Godfrey; Ini U. Bassey; Fransica O. Nwaokolrie; Ayodeji Owolabi; Ani Nkang; Terkumbur E. Gber; Moses M. Edim et al.
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Elucidation of collagen amino acid interactions with metals (B, Ni) encapsulated graphene/PEDOT material: Insight from DFT calculations and MD simulation

Journal of Molecular Liquids
2023-11 | Journal article
Contributors: Rawlings A. Timothy; Hitler Louis; Eze A. Adindu; Terkumbur E. Gber; Ernest C. Agwamba; Offiong E. Offiong; Anthony M.S. Pembere
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RETRACTED: Molecular Simulation of the Effect of Electron Donor/Acceptor Groups on Fluvoxamine/Serotonin Interactions as a Strategy for COVID‐19 Mitigation

ChemistrySelect
2023-11-13 | Journal article
Contributors: Hamid Hadi; Hitler Louis; Komeil Jafari; Terkumbur E. Gber; Nnenna A. Onwuabusim
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RETRACTED: Theoretical Investigation of Single‐Atoms Encapsulated by Fullerenes (C59X: X=As, Ga, Ge) as Biosensors For Uric Acid (UA)

ChemistrySelect
2023-11-13 | Journal article
Contributors: Rawlings A. Timothy; Emmanuel E. D. Okon; Terkumbur E. Gber; Nnenna A. Onwuabusim; Nwokolo A. Obianuju; Offiong E. Offiong; Adedapo S. Adeyinka; Hitler Louis
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Exploring the potential of single-metals (Cu, Ni, Zn) decorated Al12N12 nanostructures as sensors for flutamide anticancer drug

Heliyon
2023-10 | Journal article
Contributors: Emmanuel U. Ejiofor; Joyce E. Ishebe; Innocent Benjamin; Gideon A. Okon; Terkumbur E. Gber; Hitler Louis
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Molecular modeling of the structural, electronic, excited state dynamic, and the photovoltaic properties of the oligomers of n-corannulene (n = 1–4)

Heliyon
2023-10 | Journal article
Contributors: Hamid Hadi; Hitler Louis; Terkumbur E. Gber; Festus O. Ogungbemiro
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Studies on transition metals (Rh, Ir, Co) doped silicon carbide nanotubes (SiCNT) for the detection and adsorption of acrolein: Insight from DFT approach

Materials Science and Engineering: B
2023-10 | Journal article
Contributors: Inyang Oyo-Ita; Hitler Louis; Victory C. Nsofor; Henry O. Edet; Terkumbur E. Gber; Festus O. Ogungbemiro; Adedapo S. Adeyinka
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Computational study of the interaction of metal ions (Na+, K+, Mg2+, Ca2+, and Al3+) with Quercetin and its antioxidant properties

Journal of the Indian Chemical Society
2023-08 | Journal article
Contributors: Ededet A. Eno; Mohammed H. Shagal; Obinna C. Godfrey; Obinna C. Ngana; Joy E. Ekong; Terkumbur E. gber; Innocent Benjamin; Benedict U. Ugi; Hitler Louis
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Modeling of Cu, Ag, and Au-decorated Al12Se12 nanostructured as sensor materials for trapping of chlorpyrifos insecticide

Computational and Theoretical Chemistry
2023-08 | Journal article
Contributors: Michael A. Akpe; Hitler Louis; Terkumbur E. Gber; Chioma M. Chima; Onyebuenyi I. Brown; Adedapo S. Adeyinka
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Modeling the Interactionof F-gases on Ruthenium-Doped Boron Nitridenanotube

Chemistry Africa
2023-08 | Journal article
Contributors: Hitler Louis; Ismail O. Amodu; Ededet A. Eno; Innocent Benjamin; Terkumbur E. Gber; Tomsmith O. Unimuke; Bartholomew B. Isang; Adedapo S. Adeyinka
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Modeling of transition metals coordination polymers of benzene tricarboxylate and pyridyl oxime-based ligands for application as antibacterial agents

Journal of the Indian Chemical Society
2023-06 | Journal article
Contributors: Patrick M. Utsu; Chinyere A. Anyama; Terkumbur E. Gber; Ayi A. Ayi; Hitler Louis
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Molecular Modeling of Cu(II), Zn(II), and Hg(II) Metal Complexes of (E)-Benzo[d][1,3-dioxol-6-ylimino)methyl-4-bromophenol Schiffbase as Potential Antibacterial Agent

Chemistry Africa
2023-06 | Journal article
Contributors: Ekeng-Ita I. Emmanuel; Okon E. E. Duke; Hitler Louis; Terkumbur E. Gber; Uzitem J. Undiandeye; Anna Imojara; Immaculata J. Ikot
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Intermolecular interactions of cytosine DNA nucleoside base with Gallic acid and its Methylgallate and Ethylgallate derivatives

ChemistrySelect
2023-03-06 | Journal article
Contributors: Diana O. Odey; Hitler Louis; Dollars K. Ita; Henry O. Edet; Providence B. Ashishie; Terkumbur E. Gber; Ayodele Akinterinwa; Anagbogu G. Effa
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Synergistic effect of KI and urea on the corrosion protection of mild steel in 0.5 M H2SO4: Experimental and computational insights

Results in Chemistry
2023-01 | Journal article
Contributors: Terngu T. Uzah; Idongesit J. Mbonu; Terkumbur E. Gber; Hitler Louis
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Organochlorine detection on transition metals (X=Zn, Ti, Ni, Fe, and Cr) anchored fullerenes (C23X)

ChemistrySelect
2023-01-16 | Journal article
Contributors: Hitler Louis; Chioma M. Chima; Ismail O. Amodu; Terkumbur E. Gber; Tomsmith O. Unimuke; Adedapo S. Adeyinka
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Adsorption properties of metal functionalized fullerene (C<sub>59</sub>Au, C<sub>59</sub>Hf, C<sub>59</sub>Ag, and C<sub>59</sub>Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU): Insight from theoretical computation

Zeitschrift fur Physikalische Chemie
2022 | Journal article
EID:

2-s2.0-85141320004

Part of ISSN: 09429352
Contributors: Apebende, C.G.; Louis, H.; Owen, A.E.; Benjamin, I.; Amodu, I.O.; Gber, T.E.; Asogwa, F.C.
Source: Self-asserted source
TERKUMBUR E. GBER via Scopus - Elsevier

Assessing the Performance of Al<sub>12</sub>N<sub>12</sub>and Al<sub>12</sub>P<sub>12</sub>Nanostructured Materials for Alkali Metal Ion (Li, Na, K) Batteries

ACS Omega
2022 | Journal article
EID:

2-s2.0-85143859445

Part of ISSN: 24701343
Contributors: Louis, H.; Ekereke, E.E.; Isang, B.B.; Ikeuba, A.I.; Amodu, I.O.; Gber, T.E.; Owen, A.E.; Adeyinka, A.S.; Agwamba, E.C.
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TERKUMBUR E. GBER via Scopus - Elsevier
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Peer review (13 reviews for 6 publications/grants)

Review activity for Chemistry - an Asian journal. (3)
Review activity for Computational and theoretical chemistry. (3)
Review activity for FlatChem. (1)
Review activity for Heliyon. (2)
Review activity for Inorganic chemistry communications. (3)
Review activity for Journal of molecular structure. (1)