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Ali Amir Khairbek

Observed names: AA Khairbek, Ali A Khairbek, Ali A. Khairbek, Ali Khairbek, Ali khairbek, Ali A. Khairbek, Khairbek, Ali A., ali khairbek, khairbek, Ali
ORCID: 0000-0002-0477-5896
Observed ORCID: 0000-0002-0477-5896
OpenAlex ID: A5036004179
Schiff bases from chlorine substituted anilines and salicylaldehyde: Synthesis, characterization, fluorescence, thermal features, biological studies and electronic structure investigations
2022 · K.J. Rajimon, N. Elangovan, et al. · Journal of Molecular Liquids · 92
Computational studies of the CuAAC reaction mechanism with diimine and phosphorus ligands for the synthesis of 1,4-disubstituted 1,2,3-triazoles
2023 · Mohammad Abd Al-Hakim Badawi, Ali A. Khairbek, et al. · New Journal of Chemistry · 23
Investigation of Huisgen's Noble metal catalyst click reaction mechanism for the synthesis of 1,4-disubstituted 1,2,3-triazoles
2024 · Ali A Khairbek, Maha I. Al-Zaben, et al. · Molecular Catalysis · 13
Assessing the catalytic potential of novel halogen substituted carbene NHC (F, Cl, Br, I) catalysts in [3 + 2] cycloaddition reactions: A computational investigation
2024 · Ali A. Khairbek, Mohammad Abd-Al Hakim Badawi, et al. · Dalton Transactions · 13
Mechanism of Ag(I)-catalyzed azide-alkyne cycloaddition reaction: a quantum mechanical investigation
2022 · Ali A. Khairbek, M. Abd. Al-Hakim Badawi · Reaction Kinetics Mechanisms and Catalysis · 13
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
2023 · Ali A. Khairbek, Abdullah Y. Alzahrani, et al. · Reaction Kinetics Mechanisms and Catalysis · 12
Assessing the Catalytic Potential of Novel ADAP ‐M (M = Cu, Ag, Au) Catalysts in [3 + 2] Cycloaddition Reactions
2025 · Ali A. Khairbek, Maha I. Al‐Zaben, et al. · Journal of Computational Chemistry · 7
Mechanistic insights and reactivity of novel NHSi- and NHGe-supported CuBr catalysts in the [3 + 2] azide–alkyne cycloaddition reaction
2025 · Ali A Khairbek, Maha I. Al-Zaben, et al. · Chemical Engineering Science · 7
Silver- and gold-catalyzed azide−alkyne cycloaddition by functionalized NHC-based polynuclear catalysts: Computational investigation and mechanistic insights
2024 · Ali A Khairbek, Mohammad Abd Al-Hakim Badawi, et al. · Molecular Catalysis · 7
Exploring the potential of metal-catalysis with N, N-type ligands in [3+2] cycloaddition reactions of azides and alkynes using theoretical tools
2024 · Ali A. Khairbek, Maha I. Al-Zaben, et al. · Reaction Kinetics Mechanisms and Catalysis · 7
Calculations of hydrogenation enthalpies of hydrocarbons by M06-2X/CBS extrapolated level in the gas phase
2020 · AA Khairbek, M Abd Al-Hakim Badawi · Journal of Chemical Research · 7
Exploring the influence of halogen-substituted Cp*RuX catalysts on RuAAC [3 + 2] cycloaddition: A quantum mechanical investigation”
2025 · Ali A. Khairbek, Maha I. Al-Zaben, et al. · Computational and Theoretical Chemistry · 6
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 and reactivity
2025 · Ali A. Khairbek, Mohammad Abd-Al Hakim Badawi, et al. · Dalton Transactions · 6
A study of Ni( ii ) catalyzed ethylene oligomerization and dimerization with various N ∩ N ligands: structure/reactivity/selectivity relationships
2024 · Mohammad Abd Al-Hakim Badawi, Abdullah Yahya Abdullah Alzahrani, et al. · New Journal of Chemistry · 4
Mechanistic and electronic structure insights into formate formation in uranium and related actinide complexes
2026 · Ali A. Khairbek, Maha I. Al-Zaben, et al. · Dalton Transactions · 3
In Silico Analysis of Curcumin's Targeted Cancer Therapy: Folate Receptor Pathways and Molecular Interaction Insights
2024 · K. J. Rajimon, Rafa Almeer, et al. · Chemistry & Biodiversity · 3
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Quantum Calculations to Estimate the Heat of Hydrogenation Theoretically
2020 · ali khairbek · IntechOpen eBooks · 3
PDF
A Comparative DFT Study of Pd‐ and Ni‐Based Catalysts in the Narasaka–Heck/C(sp 3 )–H Activation Reaction
2026 · Renjith Thomas, Maha I. Al‐Zaben, et al. · Journal of Computational Chemistry · 2
Interpretable machine-learning prediction of DFT energies per atom and identification of magic numbers in coinage-metal nanoclusters ( N ≤ 55) from the open quantum cluster database
2026 · Ali A. Khairbek, Maha I. Al-Zaben, et al. · Physical Chemistry Chemical Physics · 2
Modeling the stability diagram and electrical conductance of a tunneling resonance system based on a carbon nanotube quantum dot
2025 · Ali Moulhim, Ali A. Khairbek · Nanoscale · 2
Halogen‐Substituted Binuclear Copper Complexes as Efficient Catalysts for Azide–Alkyne Cycloaddition Reactions
2025 · Renjith Thomas, Abdullah Yahya Abdullah Alzahrani, et al. · Applied Organometallic Chemistry · 2
Computational studies of the metal-free [3+2] cycloaddition reaction of azide with enaminone for the synthesis of 1,2,3-triazoles
2024 · Mohammad Abd Al-Hakim Badawi, Maram Dagher, et al. · New Journal of Chemistry · 2
Quantum mechanical investigation of the mechanism of Ni(0)-catalyzed cycloaddition reaction of 2-cyclobutanone with alkyne
2023 · Mohammad Abd Al-Hakim Badawi, Maha I. Al-Zaben, et al. · Zeitschrift für Physikalische Chemie · 2
Physics-informed conformal prediction of aromatic C–H site selectivity: guaranteed coverage prediction sets for electrophilic aromatic substitution
2026 · Ali A. Khairbek, Abdullah Yahya Abdullah Alzahrani, et al. · Physical Chemistry Chemical Physics · 1
Combining data-driven and quantum chemical approaches to evaluate Minnesota functionals (M06-2X, MN12-SX, and MN15) for the enthalpy of formation predictions
2025 · Ali A. Khairbek, Ali Moulhim, et al. · Journal of Molecular Modeling · 1
Works count: 49
Citation count: 244
H-index: 7
I10-index: 6
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