DFT investigation on the effect of the permutation of some electron donating and accepting groups in the charge transfer process within 2-((E)-[2-hydroxyphenyl)imino] methyl)phenol
Nwamba Tessa, Charles Bernard, Tamafo Fouegue, Aymard Didier, Nono, Jean Hubert, Bine, Fritzgerald Kogge, Ghogomu, Julius Numbonui
Published in Theoretical chemistry accounts (2022)
Published in Theoretical chemistry accounts (2022)
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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
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
Theoretical Study of the Structural, Optoelectronic, and Reactivity Properties of N-[5′-Methyl-3′-Isoxasolyl]-N-[(E)-1-(-2-)]Methylidene] Amine and Some of Its Fe2+, Co2+, Ni2+, Cu2+, and Zn2+ Complexes for OLED and OFET Applications
Tendongmo, Hilaire, Tasheh, Stanley Numbonui, Tamafo, Didier Aymard Fouegue, Bine, Fritzgerald Kogge, Numbonui Ghogomu, Julius
Published in Journal of chemistry (22.07.2022)
Published in Journal of chemistry (22.07.2022)
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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
A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages
de Paul Zoua, Vincent, Bine, Fritzgerald Kogge, Pagoré, Ismaèl Figapka, Fouegue, Aymard Didier Tamafo, Ntieche, Rahman Abdoul
Published in Computational and theoretical chemistry (01.10.2024)
Published in Computational and theoretical chemistry (01.10.2024)
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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
Theoretical screening of N-[5′-methyl-3′-isoxasolyl]-N-[(E)-1-(-2-thiophene)] methylidene]amine and its isoxazole based derivatives as donor materials for bulk heterojunction organic solar cells: DFT and TD-DFT investigation
Tendongmo, Hilaire, Kogge, Bine Fritzgerald, Tamafo Fouegue, Aymard Didier, Tasheh, Stanley Numbonui, Tessa, Charles Bernard Nwamba, Ghogomu, Julius Numbonui
Published in Journal of molecular modeling (01.06.2024)
Published in Journal of molecular modeling (01.06.2024)
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Journal Article
Theoretical Study of the Structural, Optoelectronic, and Reactivity Properties of N-[5′-Methyl-3′-Isoxasolyl]-N-[]Methylidene] Amine and Some of Its Fe[sup.2+], Co[sup.2+], Ni[sup.2+], Cu[sup.2+], and Zn[sup.2+] Complexes for OLED and OFET Applications
Tendongmo, Hilaire, Tasheh, Stanley Numbonui, Tamafo, Didier Aymard Fouegue, Bine, Fritzgerald Kogge, Numbonui Ghogomu, Julius
Published in Journal of chemistry (22.07.2022)
Published in Journal of chemistry (22.07.2022)
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Journal Article
Structural Properties and Reactive Site Selectivity of Some Transition Metal Complexes of 2,2' dibenzoic Acid: DFT, Conceptual DFT, QTAIM, and MEP Studies
Bine, Fritzgerald Kogge, Nkungli, Nyiang Kennet, Numbonui, Tasheh Stanley, Ghogomu, Julius Numbonui
Published in Bioinorganic chemistry and applications (01.01.2018)
Published in Bioinorganic chemistry and applications (01.01.2018)
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Journal Article