Schiff bases from chlorine substituted anilines and salicylaldehyde: Synthesis, characterization, fluorescence, thermal features, biological studies and electronic structure … KJ Rajimon, N Elangovan, AA Khairbek, R Thomas Journal of Molecular Liquids 370, 121055, 2023 | 63 | 2023 |
Computational studies of the CuAAC reaction mechanism with diimine and phosphorus ligands for the synthesis of 1, 4-disubstituted 1, 2, 3-triazoles MAAH Badawi, AA Khairbek, R Thomas New Journal of Chemistry 47 (8), 3683-3691, 2023 | 12 | 2023 |
Mechanism of Ag (I)-catalyzed azide-alkyne cycloaddition reaction: a quantum mechanical investigation AA Khairbek, MAAH Badawi Reaction Kinetics, Mechanisms and Catalysis 136 (1), 69-81, 2023 | 7 | 2023 |
Computational studies on CuAAC reaction mechanism with [CuX (PPh3)]; X= I, Br, Cl for the synthesis of 4-and 5-halo-1, 2, 3-triazoles AA Khairbek, AY Alzahrani, MAAH Badawi, R Thomas Reaction Kinetics, Mechanisms and Catalysis 137 (2), 777-790, 2024 | 5 | 2024 |
Investigation of Huisgen's Noble metal catalyst click reaction mechanism for the synthesis of 1, 4-disubstituted 1, 2, 3-triazoles AA Khairbek, MI Al-Zaben, R Puchta, MAAH Badawi, R Thomas Molecular Catalysis 566, 114412, 2024 | 3 | 2024 |
Mechanism of Copper (I)-catalyzed cycloaddition of azides to Terminal Alkynes: A quantum mechanical investigation MAAH Badawi, A Khairbek Tishreen University Journal-Basic Sciences Series 45 (1), 57-69, 2023 | 3 | 2023 |
Exploring the potential of metal-catalysis with N, N-type ligands in [3+ 2] cycloaddition reactions of azides and alkynes using theoretical tools AA Khairbek, MI Al-Zaben, F Abbas, MAAH Badawi, R Thomas Reaction Kinetics, Mechanisms and Catalysis, 1-13, 2024 | 2 | 2024 |
Assessing the catalytic potential of novel halogen substituted carbene NHC (F, Cl, Br, I) catalysts in [3+ 2] cycloaddition reactions: A computational investigation AA Khairbek, MAAH Badawi, AY Alzahrani, R Thomas Dalton Transactions 53 (40), 16635-16646, 2024 | 1 | 2024 |
Calculations of hydrogenation enthalpies of hydrocarbons by M06-2X/CBS extrapolated level in the gas phase AA Khairbek, MAAH Badawi Journal of Chemical Research 44 (11-12), 762-768, 2020 | 1 | 2020 |
Silver-and gold-catalyzed azide− alkyne cycloaddition by functionalized NHC-based polynuclear catalysts: Computational investigation and mechanistic insights AA Khairbek, MAAH Badawi, AYA Alzahrani, KJ Rajimon, R Thomas Molecular Catalysis 570, 114708, 2025 | | 2025 |
Quantum mechanical investigation of the mechanism of Ni (0)-catalyzed cycloaddition reaction of 2-cyclobutanone with alkyne MAAH Badawi, MI Al-Zaben, A Sotal, AY Alzahrani, A Khairbek, ... Zeitschrift für Physikalische Chemie 238 (2), 223-237, 2024 | | 2024 |
In Silico Analysis of Curcumin's Targeted Cancer Therapy: Folate Receptor Pathways and Molecular Interaction Insights KJ Rajimon, R Almeer, P Thangaiyan, A Khairbek, R Thomas Chemistry & Biodiversity, e202402561, 2024 | | 2024 |
Computational studies of the metal-free [3+ 2] cycloaddition reaction of azide with enaminone for the synthesis of 1, 2, 3-triazoles MAAH Badawi, M Dagher, AYA Alzahrani, AA Khairbek, R Thomas New Journal of Chemistry, 2024 | | 2024 |
A study of Ni (ii) catalyzed ethylene oligomerization and dimerization with various N∩ N ligands: structure/reactivity/selectivity relationships MAAH Badawi, AYA Alzahrani, N Baddour, MI Al-Zaben, AA Khairbek, ... New Journal of Chemistry 48 (32), 14460-14468, 2024 | | 2024 |
NJC AA Khairbek, R Thomas | | 2023 |
Correction: Mechanism of Ag (I)‑catalyzed azide‑alkyne cycloaddition reaction: a quantum mechanical investigation AA Khairbek, MAAH Badawi | | 2022 |
Quantum Calculations to Estimate the Heat of Hydrogenation Theoretically AA Khairbek Advanced Applications of Hydrogen and Engineering Systems in the Automotive …, 2020 | | 2020 |
Theoretical Calculations of Hydrogenation Enthalpies of Some Unsaturated Hydrocarbon Compounds MAAH Badawi, A Khairbek Tishreen University Journal-Basic Sciences Series 41 (5), 2019 | | 2019 |