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Named after the University of Sankore in Timbuktu — one of the world’s oldest centres of learning. Every figure here is computed from work-level records in our own graph, never copied from a source’s summary count.

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Tomsmith O. Unimuke · Sankore

University of Calabar

Tomsmith O. Unimuke

ORCID, self-asserted

ORCID 0000-0001-8721-2345

This profile carries an ORCID the researcher published on their own record — the strongest evidence available short of a human confirming it.

Publications

69

Citations

2,081

h-index

28

Computed over the works the graph holds, so it is a floor rather than a career figure.

i10-index

51

Works published 2022 onward have been swept for this country. Figures are complete within that window, to the extent the open indexes are.

Affiliations

Every institution this scholar has appeared with on a work, by how many.

University of Calabar80 works
Clifford University1 works

Publications

69 works in the graph, newest first.

Detection of C6H6, CO2, and H2S gases on arsenic (As) and cobalt (Co) doped quantum dots (QDs) nanostructured materials
2024Zeitschrift für Physikalische ChemieJournal6 citations10.1515/zpch-2023-0451
Machine learning-assisted DFT-prediction of pristine and endohedral doped (O and Se) Ge12C12 and Si12C12 nanostructures as anode materials for lithium-ion batteries
2024Scientific ReportsJournalOpen accessSenior authorCorresponding6 citations10.1038/s41598-024-77150-x
Enhanced sensing of bacteria biomarkers by ZnO and graphene oxide decorated PEDOT film
2024Journal of Biomolecular Structure and DynamicsJournal4 citations10.1080/07391102.2024.2328740
Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT
2023ACS OmegaJournalOpen access64 citations10.1021/acsomega.2c03635

Investigation of crystal structures, spectral (FT-IR and NMR) analysis, DFT, and molecular docking studies of novel piperazine derivatives as antineurotic drugs

2023Journal of Molecular StructureJournal20 citations10.1016/j.molstruc.2023.134937

Spectroscopic, structural, and intermolecular interactions of 4-(2-hydroxy-3-methoxybenzylideneamino)-N-(5-methylisoxazol-3-yl)benzenesulfonamide enol-imine and keto-amine isomers

2023Journal of Molecular StructureJournal21 citations10.1016/j.molstruc.2023.134978

Organochlorine detection on transition metals (X=Zn, Ti, Ni, Fe, and Cr) anchored fullerenes (C 23 X)

2023ChemistrySelectJournal19 citations10.1002/slct.202203843

Toward Site-Specific Interactions of nH2 (n = 1–4) with Ga12As12 Nanostructured for Hydrogen Storage Applications

2023Energy & FuelsJournal17 citations10.1021/acs.energyfuels.2c03481

Increasing the Photovoltaic Power of the Organic Solar Cells by Structural Modification of the R-P2F-Based Materials

2023Journal of Molecular ModelingJournalCorresponding18 citations10.1007/s00894-023-05652-y

Computational Study of the Interaction of C 12 P 12 and C 12 N 12 Nanocages with Alendronate Drug Molecule

2023ChemistrySelectJournalOpen access15 citations10.1002/slct.202203607

Hydrazineylidene‐3‐oxopropanal derivatives as antiviral agents for treatment of HBV and HCV : Experimental, DFT , and molecular docking studies

2023Vietnam Journal of ChemistryJournalOpen access14 citations10.1002/vjch.202200063

Endohedral doping of Ca12O12-X (X = Zn, Cd, and Hg) as hydrogen storage materials

2023International Journal of Hydrogen EnergyJournal12 citations10.1016/j.ijhydene.2023.04.152

Modeling of photofunctional transition metals (Mn, Re, Ir) complexes towards the effective detection of uric acid (UA) as biomarker for kidney dysfunction

2023Journal of Photochemistry and Photobiology A ChemistryJournal7 citations10.1016/j.jphotochem.2023.114942

RETRACTED ARTICLE: High throughput computations of the effective removal of liquified gases by novel perchlorate hybrid material

2023Scientific ReportsJournalOpen accessFirst authorCorresponding5 citations10.1038/s41598-023-38091-z

Molecular Modeling of Cu-, Ag-, and Au-Decorated Aluminum Nitride Nanotubes for Hydrogen Storage Application

2023ACS Applied Energy MaterialsJournal10 citations10.1021/acsaem.3c00587

Single metal-doped silicon (Si59X; X = Nb, Mo, Y, Zr) nanostructured as nanosensors for N-Nitrosodimethylamine (NDMA) pollutant: Intuition from computational study

2023Materials Today CommunicationsJournalOpen access10 citations10.1016/j.mtcomm.2023.106173

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

2023Vietnam Journal of ChemistryJournalOpen accessCorresponding9 citations10.1002/vjch.202200110

Molecular Simulation of the Interaction of Diclofenac with Halogen (F, Cl, Br)-Encapsulated Ga12As12 Nanoclusters

2023ACS OmegaJournalOpen accessCorresponding8 citations10.1021/acsomega.2c06097

Surface engineering of non-platinum-based electrocatalysts for sustainable hydrogen production: Encapsulation, doping, and decoration approach

2023International Journal of Hydrogen EnergyJournalOpen accessFirst authorCorresponding6 citations10.1016/j.ijhydene.2023.10.137

Modeling the Interactionof F-gases on Ruthenium-Doped Boron Nitridenanotube

2023Chemistry AfricaJournal5 citations10.1007/s42250-023-00645-z

Effect of Cu doping on structural, electronic and thermoelectric properties of double perovskite Cs2NaVCl6

2023Computational Condensed MatterJournal10 citations10.1016/j.cocom.2023.e00803

Quantum Chemical Modeling of CH3NH3MX3 (MAM*X3: M* = Sn, Si, Ge; X = Cl, Br, I) Lead-Free Perovskites in Comparison with Lead-Based Perovskite Materials

2023Chemistry AfricaJournal7 citations10.1007/s42250-023-00670-y

Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol

2023Chemical Physics ImpactJournalOpen access6 citations10.1016/j.chphi.2023.100243

Adsorptive investigation of the anticorrosion properties of natural chrysin on carbon steel in acid–chloride system: combined theoretical and experimental approach

2023Pigment & Resin TechnologyJournal6 citations10.1108/prt-04-2023-0034

Assessing the Performance of Transition Metals (M = Hf, Ti, and Zr) Decorated Silicon Carbide Nanotubes (M@SiCNTs) for Hydrogen Storage Applications: Insights from Theoretical Calculations

2023ACS Applied Energy MaterialsJournal6 citations10.1021/acsaem.3c02555

Molecular modeling of Si60 fullerene and Nb-doped Si60 fullerene nanomaterials for SO2, NO2 and CO2 gas sensing

2023Materials Science and Engineering BJournal4 citations10.1016/j.mseb.2023.117022

Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies

2022Journal of Molecular StructureJournal102 citations10.1016/j.molstruc.2022.133298

Modeling of Ca12O12, Mg12O12, and Al12N12 nanostructured materials as sensors for phosgene (Cl2CO)

2022Materials Today CommunicationsJournal93 citations10.1016/j.mtcomm.2022.103946

Reactive azo compounds as a potential chemotherapy drugs in the treatment of malignant glioblastoma (GBM): Experimental and theoretical studies

2022Journal of Photochemistry and PhotobiologyJournalOpen access91 citations10.1016/j.jpap.2022.100116

Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane

2022ACS OmegaJournalOpen accessFirst author85 citations10.1021/acsomega.1c07361

Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction

2022Scientific ReportsJournalOpen accessCorresponding68 citations10.1038/s41598-022-20048-3

RETRACTED: Hydrogen storage capacity of C12X12 (X = N, P, and Si)

2022Chemical Physics ImpactJournalOpen access59 citations10.1016/j.chphi.2022.100107

Modelling of Aminothiophene-Carbonitrile Derivatives as Potential Drug Candidates for Hepatitis B and C

2022Iranian Journal of Science and Technology Transactions A ScienceJournal42 citations10.1007/s40995-022-01355-w

RETRACTED: Metal-Doped Al12N12X (X = Na, Mg, K) Nanoclusters as Nanosensors for Carboplatin: Insight from First-Principles Computation

2022The Journal of Physical Chemistry BJournal41 citations10.1021/acs.jpcb.2c03671

(E)-2-((3-Nitrophenyl)Diazenyl)-3-Oxo-3-Phenylpropanal: Experimental, DFT Studies, and Molecular Docking Investigations

2022Chemistry AfricaJournal39 citations10.1007/s42250-022-00468-4

Computational study on the interactions of functionalized C24NC (NC=C, –OH, –NH2, –COOH, and B) with chloroethylphenylbutanoic acid

2022Canadian Journal of ChemistryJournalOpen access32 citations10.1139/cjc-2022-0181

Modeling of Al12N12, Mg12O12, Ca12O12, and C23N nanostructured as potential anode materials for sodium-ion battery

2022Journal of Solid State ElectrochemistryJournal30 citations10.1007/s10008-022-05300-0

Modeling of Re(I) tricarbonyl complexes against SARS-CoV-2 receptor via DFT, in-silico molecular docking, and QSAR

2022Chemical Physics ImpactJournalOpen access28 citations10.1016/j.chphi.2022.100105

RETRACTED: Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM

2022Journal of Ionic LiquidsJournalOpen access106 citations10.1016/j.jil.2022.100030

Antimicrobial activities of 1-phenyl-3-methyl-4-trichloroacetyl-pyrazolone: Experimental, DFT studies, and molecular docking investigation

2022Journal of the Indian Chemical SocietyJournal82 citations10.1016/j.jics.2022.100524

Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H 2 S gas

2022RSC AdvancesJournalOpen access61 citations10.1039/d2ra05456f

Trapping of CO, CO2, H2S, NH3, NO, NO2, and SO2 by polyoxometalate compound

2022Computational and Theoretical ChemistryJournalSenior author56 citations10.1016/j.comptc.2022.113826

Antispasmodic activity of carnosic acid extracted from rosmarinus officinalis: Isolation, spectroscopic characterization, DFT studies, and in silico molecular docking investigations

2022Journal of Molecular StructureJournalSenior author55 citations10.1016/j.molstruc.2022.132795

Experimental and computational modeling of the biological activity of benzaldehyde sulphur trioxide as a potential drug for the treatment of Alzheimer disease

2022Journal of the Indian Chemical SocietyJournal55 citations10.1016/j.jics.2022.100532

RETRACTED: Spectroscopic and molecular electronic property investigation of 2-phenylpyrimidine-4, 6-diamine via 1H NMR, UV–vis, FT-Raman, FT-IR, and DFT approach

2022Journal of Molecular StructureJournalFirst author49 citations10.1016/j.molstruc.2022.133195

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

2022Journal of FluorescenceJournalCorresponding46 citations10.1007/s10895-022-02903-8

Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone

2022Chemical Physics ImpactJournalOpen access45 citations10.1016/j.chphi.2022.100094

Integrated Spectroscopic, Bio-active Prediction and Analytics of Isoquinoline Derivative for Breast Cancer Mitigation

2022Chemistry AfricaJournal43 citations10.1007/s42250-022-00479-1

Spectroscopic (UV–vis, FT-IR, FT-Raman, and NMR) analysis, structural benchmarking, molecular properties, and the in-silico cerebral anti-ischemic activity of 2-amino-6-ethoxybenzothiazole

2022Journal of Molecular StructureJournal39 citations10.1016/j.molstruc.2022.133318

Electronic structure theory investigation on the electrochemical properties of cyclohexanone derivatives as organic carbonyl-based cathode material for lithium-ion batteries

2022Arabian Journal of ChemistryJournalOpen access37 citations10.1016/j.arabjc.2022.104026

Showing 1–50 of 69

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