A quantum mechanics and molecular mechanics study of bis-thiosemicarbazones with strong antiplasmodial properties as Fe()-selective chelators and inhibitors of hemozoin formation
Nkungli, Nyiang Kennet, Aponglen, Godfred Ayimele, Tasheh, Stanley Numbonui, Hassan, Abrar Ul, Ghogomu, Julius Numbonui
Published in New journal of chemistry (25.03.2024)
Published in New journal of chemistry (25.03.2024)
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Journal Article
Theoretical insights into the direct radical scavenging activities of 8-hydroxyquinoline: Mechanistic, thermodynamic and kinetic studies
Kennet Nkungli, Nyiang, Numbonui Tasheh, Stanley, Didier Tamafo Fouegue, Aymard, Kogge Bine, Fritzgerald, Numbonui Ghogomu, Julius
Published in Computational and theoretical chemistry (01.04.2021)
Published in Computational and theoretical chemistry (01.04.2021)
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Journal Article
In silico screening of ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methyleneamino]benzoate and some of its derivatives for their NLO activities using DFT
Kiven, Dinyuy Emmanuel, Nkungli, Nyiang Kennet, Tasheh, Stanley Numbonui, Ghogomu, Julius Numbonui
Published in Royal Society open science (01.01.2023)
Published in Royal Society open science (01.01.2023)
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Journal Article
DFT investigation on the application of pure and doped X12N12 (X = B and Al) fullerene-like nano-cages toward the adsorption of temozolomide
Ndjopme Wandji, Brice Laure, Tamafo Fouegue, Aymard Didier, Nkungli, Nyiang Kennet, Ntieche, Rahman Abdoul, Wahabou, Abdoul
Published in Royal Society open science (06.04.2022)
Published in Royal Society open science (06.04.2022)
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Journal Article
Computational Evaluation of the Structural, Topological, and Solvent Effects on the Nonlinear Optical Properties of 1-Methylurea Butanedioic Acid Crystal
Tasheh, Stanley Numbonui, Nkungli, Nyiang Kennet, Tsapi, Charly Tedjeuguim, Ajifac, Dodo Lydie, Ghogomu, Julius Numbonui
Published in Journal of chemistry (11.05.2024)
Published in Journal of chemistry (11.05.2024)
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Journal Article
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
Tsapi, Charly Tedjeuguim, Tasheh, Stanley Numbonui, Nkungli, Nyiang Kennet, Fouegue, Aymard Didier Tamafo, Alongamo, Caryne Isabelle Lekeufack, Ghogomu, Julius Numbonui
Published in Journal of chemistry (02.05.2023)
Published in Journal of chemistry (02.05.2023)
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Journal Article
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
Alongamo, Caryne Isabelle Lekeufack, Tasheh, Stanley Numbonui, Nkungli, Nyiang Kennet, Bine, Fritzgerald Kogge, Ghogomu, Julius Numbonui
Published in Journal of chemistry (2022)
Published in Journal of chemistry (2022)
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Journal Article
Enhancing the charge transport and luminescence properties of ethyl 4-[()-(2-hydroxy-4-methoxyphenyl)methyleneamino]benzoate through complexation: a DFT and TD-DFT study
Kiven, Dinyuy Emmanuel, Bine, Fritzgerald Kogge, Nkungli, Nyiang Kennet, Tamafo Fouegue, Aymard Dider, Tasheh, Stanley Numbonui, Ghogomu, Julius Numbonui
Published in RSC advances (11.06.2024)
Published in RSC advances (11.06.2024)
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Journal Article
A DFT and TD-DFT Study of Two Hydralazine Derivatives for Organic Solar Cells and Nonlinear Optical Applications
Tamighang, Remi Nkeih, Ajifack, Dodo Lydie, Tasheh, Stanley Numbonui, Nkungli, Nyiang Kennet, Tsapi, Charly Tedjeuguim, Numbonui Ghogomu, Julius
Published in Journal of chemistry (08.12.2023)
Published in Journal of chemistry (08.12.2023)
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Journal Article
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
Ghogomu, Julius Numbonui, Numbonui, Tasheh Stanley, Nkungli, Nyiang Kennet, Bine, Fritzgerald Kogge
Published in Bioinorganic chemistry and applications (01.01.2018)
Published in Bioinorganic chemistry and applications (01.01.2018)
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Journal Article
Structural and Antioxidant Properties of Compounds Obtained from Fe^(2+) Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies
Aymard Didier Tamafo Fouegue, Julius Numbonui Ghogomu, Désiré Bikélé Mama, Nyiang Kennet Nkungli, Elie Younang
Published in Bioinorganic Chemistry and Applications (01.12.2016)
Published in Bioinorganic Chemistry and Applications (01.12.2016)
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Journal Article
Quantum Chemical Investigation on the Antioxidant Activity of Neutral and Anionic Forms of Juglone: Metal Chelation and Its Effect on Radical Scavenging Activity
Bikélé Mama, Désiré, Nkungli, Nyiang Kennet, Ghogomu, Julius Numbonui, Tamafo Fouegue, Aymard Didier, Younang, Elie
Published in Journal of chemistry (01.01.2017)
Published in Journal of chemistry (01.01.2017)
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Journal Article
Structural and Antioxidant Properties of Compounds Obtained from Fe2+ Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies
Nkungli, Nyiang Kennet, Bikélé Mama, Désiré, Ghogomu, Julius Numbonui, Tamafo Fouegue, Aymard Didier, Younang, Elie
Published in Bioinorganic chemistry and applications (01.01.2016)
Published in Bioinorganic chemistry and applications (01.01.2016)
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Journal Article
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
Alongamo, Christelle Herliette Atchialefack, Nkungli, Nyiang Kennet, Ghogomu, Julius Numbonui
Published in Molecular physics (17.09.2019)
Published in Molecular physics (17.09.2019)
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Journal Article
Enhancing the charge transport and luminescence properties of ethyl 4-(E)-(2-hydroxy-4-methoxyphenyl)methyleneaminobenzoate through complexation: a DFT and TD-DFT study
Kiven, Dinyuy Emmanuel, Bine, Fritzgerald Kogge, Nkungli, Nyiang Kennet, Tamafo Fouegue, Aymard Dider, Tasheh, Stanley Numbonui, Ghogomu, Julius Numbonui
Published in RSC advances (06.06.2024)
Published in RSC advances (06.06.2024)
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Journal Article
In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study
Nkungli, Nyiang Kennet, Fouegue, Aymard Didier Tamafo, Tasheh, Stanley Numbonui, Bine, Fritzgerald Kogge, Hassan, Abrar Ul, Ghogomu, Julius Numbonui
Published in Molecular diversity (01.04.2024)
Published in Molecular diversity (01.04.2024)
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Journal Article
COMPUTATIONAL DESIGNING OF DEFERIPRONE BASED NOVEL DRUGS AS EFFICIENT ANTI-PARKINSON AGENTS
ABRAR UL HASSAN, Nkungli, Nyiang Kennet, Guleryuz, C.
Published in Latin American applied research (08.02.2023)
Published in Latin American applied research (08.02.2023)
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Journal Article