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Nyiang Kennet Nkungli

Observed names: Nkungli, Nyiang Kennet, Nkungli, Nyiang Kenneth, Nyiang K. Nkungli, Nyiang Kenneth Nkungli, Nyiang Nkungli
ORCID: 0000-0002-8650-0027
Observed ORCID: 0000-0002-8650-0027
OpenAlex ID: A5090450666
Theoretical analysis of the binding of iron(III) protoporphyrin IX to 4-methoxyacetophenone thiosemicarbazone via DFT-D3, MEP, QTAIM, NCI, ELF, and LOL studies
2017 · Nyiang Kennet Nkungli, Julius Numbonui Ghogomu · Journal of Molecular Modeling · 146
Novel pull–push organic switches with D–π–A structural designs: computational design of star shape organic materials
2022 · Abrar U. Hassan, Ayesha Mohyuddin, et al. · Structural Chemistry · 38
Molecular modeling of mordant black dye for future applications as visible light harvesting materials with anchors: design and excited state dynamics
2023 · Abrar U. Hassan, Sajjad H. Sumrra, et al. · Journal of Molecular Modeling · 33
DFT investigation on the application of pure and doped X12N12(X = B and Al) fullerene-like nano-cages toward the adsorption of temozolomide
2022 · Brice Laure Ndjopme Wandji, Aymard Didier Tamafo Fouegue, et al. · Royal Society Open Science · 32
DFT and TD-DFT Study of Bis[2-(5-Amino-[1,3,4]-Oxadiazol-2-yl) Phenol](Diaqua)M(II) Complexes [M = Cu, Ni and Zn]: Electronic Structures, Properties and Analyses
2015 · Nyiang Kennet Nkungli, Julius Numbonui Ghogomu, et al. · Computational Chemistry · 32
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In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study
2023 · Nyiang Kennet Nkungli, Aymard Didier Tamafo Fouegue, et al. · Molecular Diversity · 29
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A DFT and TD-DFT study of ESIPT-mediated NLO switching and UV absorption by 2-(2′-hydroxy-5′-methylphenyl)benzotriazole
2019 · Numbonui Stanley Tasheh, Nyiang Kennet Nkungli, et al. · Theoretical Chemistry Accounts · 26
DFT-based study of the impact of transition metal coordination on the charge transport and nonlinear optical (NLO) properties of 2-{[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylimino]methyl}phenol
2019 · Christelle Herliette Atchialefack Alongamo, Nyiang Kennet Nkungli, et al. · Molecular Physics · 25
DFT Studies and Topological Analyses of Electron Density on Acetophenone and Propiophenone Thiosemicarbazone Derivatives as Covalent Inhibitors of Falcipain-2, a Major Plasmodium Falciparum Cysteine Protease
2017 · Julius Numbonui Ghogomu, Nyiang Kennet Nkungli · Physical chemistry research · 24
A theoretical study of the structural and electronic properties of some titanocenes using DFT, TD-DFT, and QTAIM
2020 · Aymard Didier Tamafo Fouegue, Jean Hubert Nono, et al. · Structural Chemistry · 22
Concomitant Effects of Transition Metal Chelation and Solvent Polarity on the First Molecular Hyperpolarizability of 4-Methoxyacetophenone Thiosemicarbazone: A DFT Study
2016 · Nyiang Kennet Nkungli, Julius Numbonui Ghogomu · Journal of Theoretical Chemistry · 21
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Structural and Antioxidant Properties of Compounds Obtained from Fe2+Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies
2016 · Aymard Didier Tamafo Fouegue, Julius Numbonui Ghogomu, et al. · Bioinorganic Chemistry and Applications · 19
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Structural, Electronic, and Charge Transport Properties of New Materials based on 2-(5-Mercapto-1,3,4-Oxadiazol-2-yl) Phenol for Organic Solar Cells and Light Emitting Diodes by DFT and TD-DFT
2022 · Caryne Isabelle Lekeufack Alongamo, Stanley Numbonui Tasheh, et al. · Journal of Chemistry · 17
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Theoretical probing of 3d nano metallic clusters as next generation non-linear optical materials
2022 · Abrar U. Hassan, Sajjad H. Sumrra, et al. · Results in Chemistry · 15
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Excited state dependent fast switching NLO behavior investigation of sp hybridized donor crystal as D-π-A push–pull switches
2024 · Cihat Güleryüz, Sajjad H. Sumrra, et al. · Results in Chemistry · 13
Structural Properties and Reactive Site Selectivity of Some Transition Metal Complexes of 2,2′(1E,1′E)-(ethane-1,2-diylbis(azan-1-yl-1-ylidene))bis(phenylmethan-1-yl-1-ylidene)dibenzoic Acid: DFT, Conceptual DFT, QTAIM, and MEP Studies
2018 · Fritzgerald Kogge Bine, Nyiang Kennet Nkungli, et al. · Bioinorganic Chemistry and Applications · 13
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A DFT Study of Some Structural and Spectral Properties of 4-Methoxyacetophenone Thiosemicarbazone and Its Complexes with Some Transition Metal Chlorides: Potent Antimicrobial Agents
2016 · Julius Numbonui Ghogomu, Nyiang Kennet Nkungli · Advances in Chemistry · 12
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In silico screening of ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methyleneamino]benzoate and some of its derivatives for their NLO activities using DFT
2023 · Dinyuy Emmanuel Kiven, Nyiang Kennet Nkungli, et al. · Royal Society Open Science · 11
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Corrosion Inhibition of Aluminium in Gas and Acid Media by Some Chalcone-Based N-(3-Aminopropyl)Imidazoles: TD-DFT-Based FMO, Conceptual DFT, QTAIM and EDA Studies
2021 · Fritzgerald Kogge Bine, Stanley Numbonui Tasheh, et al. · Computational Chemistry · 11
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Quantum Chemical Investigation on the Antioxidant Activity of Neutral and Anionic Forms of Juglone: Metal Chelation and Its Effect on Radical Scavenging Activity
2017 · Aymard Didier Fouegue Tamafo, Julius Numbonui Ghogomu, et al. · Journal of Chemistry · 11
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DFT exploration: Optical and conduction band switching in indaceno donor moiety and its TiO2 adsorbed complexes for an efficient ON-OFF ratio
2023 · Abrar U. Hassan, Sajjad H. Sumrra, et al. · Materials Science and Engineering B · 10
Theoretical insights into the direct radical scavenging activities of 8-hydroxyquinoline: Mechanistic, thermodynamic and kinetic studies
2021 · Nyiang Kennet Nkungli, Stanley Numbonui Tasheh, et al. · Computational and Theoretical Chemistry · 9
Structural, Spectral (IR and UV/Visible) and Thermodynamic Properties of Some 3d Transition Metal(II) Chloride Complexes of Glyoxime and Its Derivatives: A DFT and TD-DFT Study
2016 · Ludovid Ngouo Nogheu, Julius Numbonui Ghogomu, et al. · Computational Chemistry · 8
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Exohedral Adsorption of N-(4-Methoxybenzylidene) Isonicotinohydrazone Molecule onto X12N12 Nanocages (where X=B and Al) and the Effect on Its NLO Properties by DFT and TD-DFT
2023 · Charly Tedjeuguim Tsapi, Stanley Numbonui Tasheh, et al. · Journal of Chemistry · 7
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A DFT and TD-DFT Study of Two Hydralazine Derivatives for Organic Solar Cells and Nonlinear Optical Applications
2023 · Remi Nkeih Tamighang, Dodo Lydie Ajifack, et al. · Journal of Chemistry · 6
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Works count: 50
Citation count: 620
H-index: 14
I10-index: 21
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