ThankGod C. Egemonye

ORCID, self-asserted

ORCID 0000-0001-6851-0638

Publications

Citations

388

h-index

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

i10-index

Publications

12 works in the graph, newest first.

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 accessFirst authorCorresponding6 citations10.1038/s41598-024-77150-x
Experiments and Calculation on New N,N-bis-Tetrahydroacridines
2024MoleculesJournalOpen access0 citations10.3390/molecules29174082
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, conformational analysis, structural benchmarking, excited state dynamics, and the photovoltaic properties of Enalapril and Lisinopril
2022Journal of the Indian Chemical SocietyJournal78 citations10.1016/j.jics.2022.100500
Heteroatoms (B, N, S) doped quantum dots as potential drug delivery system for isoniazid: insight from DFT, NCI, and QTAIM
2022HeliyonJournalOpen access73 citations10.1016/j.heliyon.2022.e12599
Antitubercolusic Potential of Amino-(formylphenyl) Diazenyl-Hydroxyl and Nitro-Substituted Naphthalene-Sulfonic Acid Derivatives: Experimental and Theoretical Investigations
2022Chemistry AfricaJournal40 citations10.1007/s42250-022-00423-3
Detection of hydrogen fluoride (HF) gas by Mg12O11-X (X = S, P, N, and B) nanosurfaces
2022Chemical Physics ImpactJournalOpen access31 citations10.1016/j.chphi.2022.100129
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 accessFirst author37 citations10.1016/j.arabjc.2022.104026
Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca 12 O 12 Nanostructured Material
2022ACS OmegaJournalOpen access36 citations10.1021/acsomega.2c03512
Analeptic activity of 2-Hydroxyl-5-Nitrobenzaldehyde: Experimental, DFT studies, and in silico molecular docking approach
2022Healthcare AnalyticsJournalOpen access39 citations10.1016/j.health.2022.100030
Detection of hydroxymethanesulfonate (HMS) by transition metal-anchored fullerene nanoclusters
2022Journal of the Iranian Chemical SocietyJournal23 citations10.1007/s13738-022-02707-4
Synthesis, characterization, and theoretical investigation of 4-chloro-6(phenylamino)-1,3,5-triazin-2-yl)asmino-4-(2,4-dichlorophenyl)thiazol-5-yl-diazenyl)phenyl as potential SARS-CoV-2 agent
2022Physical Sciences ReviewsJournal5 citations10.1515/psr-2021-0161