| 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 | 13 | 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 | 9 | 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 | 7 | 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 | 5 | 2024 |
| Mechanism of diethylamine/DBU-catalyzed cycloaddition of azides to unsaturated aldehydes: A quantum mechanical investigation MAAH Badawi Computational and Theoretical Chemistry 1209, 113593, 2022 | 5 | 2022 |
| 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 | 4 | 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 | 3 | 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 | 2 | 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 | 1 | 2025 |
| DFT studies on mechanism of organocatalytic metal-free click 32CA reaction for synthesis of NH-1, 2, 3-triazoles MA Al-Hakim Badawi, MI Al-Zaben, R Thomas Catalysis Letters 154 (3), 1134-1141, 2024 | 1 | 2024 |
| 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 | 1 | 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 | 1 | 2024 |
| Computational study on novel RhCp X (X= CF 3, SiF 3, CCl 3, SO 3 H) as promising catalysts in the [3+ 2] azide–alkyne cycloaddition reaction: insights into mechanistic pathways … AA Khairbek, MAAH Badawi, AY Alzahrani, R Puchta, R Thomas Dalton Transactions, 2025 | | 2025 |
| 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 49 (1), 291-301, 2025 | | 2025 |
| Correction: Mechanism of Ag (I)‑catalyzed azide‑alkyne cycloaddition reaction: a quantum mechanical investigation AA Khairbek, MAAH Badawi | | 2022 |
| Quantum mechanical investigations of base-catalyzed cycloaddition reaction between phenylacetylene and azidobenzene MAAH Badawi, ST Abu-Orabi Journal of Chemical Research 45 (5-6), 519-525, 2021 | | 2021 |
| Conformational Analysis for 3-Halopropene in Gas Phase using The Complete Basis Set (CBS) Limit Extrapolation Scheme MAAH Badawi, A Ismail Tishreen University Journal-Basic Sciences Series 42 (1), 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 |
| Theoretical Study of 1, 3-Dipolar Cycloaddition Reaction of Aryl Azide and its Derivatives with Cinnamic Acid one in Gas State and with Different Solvents M Badawi, N Baddour Tishreen University Journal-Basic Sciences Series 40 (4), 2018 | | 2018 |
| تحديد انتالبيات تشكل المركبات الإيتيرية الحلقية الثلاثية حتى الثمانية غير المتجانسة في الحالة الغازية بالطرائق النظرية المختلفة من خلال طاقات التذري ومخططات فصل الروابط بدوي, محمد, سعيد, أمين سلسلة العلوم الأساسية ISSN: 2079-3057 37 (5), 2017 | | 2017 |
Ali KhairbekTishreen UniversityVerified email at tishreen.edu.sy