DFT investigation on the application of pure and doped X12N12 (X = B and Al) fullerene-like nano-cages toward the adsorption of temozolomide BL Ndjopme Wandji, AD Tamafo Fouegue, NK Nkungli, RA Ntieche, ... Royal Society Open Science 9 (4), 211650, 2022 | 21 | 2022 |
A theoretical study of the structural and electronic properties of some titanocenes using DFT, TD-DFT, and QTAIM AD Tamafo Fouegue, JH Nono, NK Nkungli, JN Ghogomu Structural Chemistry 32, 353-366, 2021 | 19 | 2021 |
Ability of B12N12 fullerene like nano‐cage for sensing and improving the antioxidant activity of juglone and its derivative: Density functional theory investigation VP Zoua, AD Tamafo Fouegue, DB Mama, JN Ghogomu, ... International Journal of Quantum Chemistry 122 (4), e26843, 2022 | 16 | 2022 |
Structural and Antioxidant Properties of Compounds Obtained from Fe2+ Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies AD Tamafo Fouegue, JN Ghogomu, D Bikélé Mama, NK Nkungli, ... Bioinorganic Chemistry and Applications 2016 (1), 8636409, 2016 | 15 | 2016 |
Adsorption of juglone on pure and boron-doped C24 fullerene-like nano-cage: A density functional theory investigation V de Paul Zoua, ADT Fouegue, MO Bouba, RA Ntieche, W Abdoul Computational and Theoretical Chemistry 1222, 114077, 2023 | 14 | 2023 |
In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and … NK Nkungli, ADT Fouegue, SN Tasheh, FK Bine, AU Hassan, ... Molecular Diversity 28 (2), 475-496, 2024 | 13 | 2024 |
B3LYP. M06 and B3PW91 DFT assignment of nd8 metal-bis-(N-heterocyclic carbene) complexes JM Ongagna, ADT Fouegue, BA Amana, GM D’ambassa, JZ Mfomo, ... J. Mol. Model 26 (246), 10.1007, 2020 | 11 | 2020 |
Quantum chemical investigation on the antioxidant activity of neutral and anionic forms of juglone: metal chelation and its effect on radical scavenging activity AD Fouegue Tamafo, JN Ghogomu, NK Nkungli, D Bikélé Mama, ... Journal of Chemistry 2017 (1), 3281684, 2017 | 10 | 2017 |
Biodiesel production from microalgal biomass by Lewis acidic deep eutectic solvent catalysed direct transesterification MA Alam, L Deng, ADP Ngatcha, ADT Fouegue, J Wu, S Zhang, A Zhao, ... Industrial Crops and Products 206, 117725, 2023 | 8 | 2023 |
DFT investigation of temozolomide drug delivery by pure and boron doped C 24 fullerene-like nanocages ADT Fouegue, V de Paul Zoua, GN Kounou, BLN Wandji, JN Ghogomu, ... Nanoscale Advances 5 (21), 5880-5891, 2023 | 8 | 2023 |
Investigating the X-aminopyridine (X = 2 and 3) molecules sensing by Al12N12 and B12N12 fullerene-like nanocages: DFT, QTAIM, RDG and TD-DFT insights AD Tamafo Fouégué, H Tendongmo, E Sakué Ngankam, ... Journal of Biomolecular Structure and Dynamics 41 (19), 9721-9731, 2023 | 7 | 2023 |
A comprehensive study on DES pretreatment application to microalgae for enhanced lipid recovery suitable for biodiesel production: Combined experimental and theoretical … MC Matchim Kamdem, AD Tamafo Fouegue, N Lai Energies 16 (9), 3806, 2023 | 7 | 2023 |
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+ … H Tendongmo, SN Tasheh, DAF Tamafo, FK Bine, J Numbonui Ghogomu Journal of Chemistry 2022 (1), 3528170, 2022 | 6 | 2022 |
Investigation of the Antioxidant and UV Absorption Properties of 2-(2’-hydroxy-5’-methylphenyl)-benzotriazole and Its Ortho-Substituted Derivatives via DFT/TD-DFT NS Tasheh, ADT Fouegue, JN Ghogomu Computational Chemistry 9 (3), 161-196, 2021 | 6 | 2021 |
B3LYP, M06 and B3PW91 DFT assignment of nd8 metal-bis-(N-heterocyclic carbene) complexes J Moto Ongagna, AD Tamafo Fouegue, B Ateba Amana, ... Journal of Molecular Modeling 26, 1-13, 2020 | 6 | 2020 |
DFT insights into the structure, reactivity and radical scavenging activity of cycloartocarpesin AD Tamafo Fouegue, H Tedongmo, R Abdoul Ntieche, JN Ghogomu Journal of Physical Organic Chemistry 34 (9), e4245, 2021 | 5 | 2021 |
Theoretical insights into the direct radical scavenging activities of 8-hydroxyquinoline: mechanistic, thermodynamic and kinetic studies NK Nkungli, SN Tasheh, ADT Fouegue, FK Bine, JN Ghogomu Computational and Theoretical Chemistry 1198, 113174, 2021 | 5 | 2021 |
The Substitution Effect on Reaction Enthalpies of Antioxidant Mechanisms of Juglone and Its Derivatives in Gas and Solution Phase: DFT Study ADT Fouegue, DB Mama, JN Ghogomu, Y Elie, MA Etoh Journal of Chemistry 2018 (1), 1958047, 2018 | 4 | 2018 |
A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages V de Paul Zoua, FK Bine, IF Pagoré, ADT Fouegue, RA Ntieche Computational and Theoretical Chemistry 1240, 114807, 2024 | 3 | 2024 |
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 … H Tendongmo, BF Kogge, AD Tamafo Fouegue, SN Tasheh, CBN Tessa, ... Journal of Molecular Modeling 30 (6), 176, 2024 | 3 | 2024 |