MB
Mohammad Abd Al-Hakim Badawi
Research areas: Chemistry · Organic Chemistry · Organic Chemistry Cycloaddition Reactions · Catalytic Alkyne Reactions · Chemical Reaction Mechanisms
0000-0001-7432-0152
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Publications (21)
- Electron Affinity of Actinide (IV) Carboxylate Complexes From MN12‐L Density‐Functional Calculations and Explainable Machine Learning Save
- Computational studies of the silver-catalyzed olefination of aldehydes using siloxyalkenes Save
- Organocatalyzed [3 + 2] cycloaddition reaction for regioselective synthesis of N-arylbenzotriazoles: theoretical study Save
- Silver- and gold-catalyzed azide−alkyne cycloaddition by functionalized NHC-based polynuclear catalysts: Computational investigation and mechanistic insights Save
- Computational studies of the metal-free [3+2] cycloaddition reaction of azide with enaminone for the synthesis of 1,2,3-triazoles Save
- Computational study on novel RhCp X (X = CF 3 , SiF 3 , CCl 3 , SO 3 … Save
- 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 Save
- Quantum mechanical investigation of the mechanism of Ni(0)-catalyzed cycloaddition reaction of 2-cyclobutanone with alkyne Save
- A study of Ni(ii) catalyzed ethylene oligomerization and dimerization with various N∩N ligands: structure/reactivity/selectivity relationships Save
- Assessing the catalytic potential of novel halogen substituted carbene NHC (F, Cl, Br, I) catalysts in [3 + 2] cycloaddition reactions: A computational investigation Save
- Computational studies of the CuAAC reaction mechanism with diimine and phosphorus ligands for the synthesis of 1,4-disubstituted 1,2,3-triazoles Save
- DFT Studies on Mechanism of Organocatalytic Metal-Free Click 32CA Reaction for Synthesis of NH-1,2,3-triazoles Save
- Mechanism of Ag(I)-catalyzed azide-alkyne cycloaddition reaction: a quantum mechanical investigation Save
- Mechanism of Copper (I)-catalyzed cycloaddition of azides to Terminal Alkynes: A quantum mechanical investigation Save
- Monte Carlo calculation of Varian ix Linac photon beam characteristics: a comparison of TPS, EGSnrc and their fitted PDD curves Save
- Mechanism of diethylamine/DBU-catalyzed cycloaddition of azides to unsaturated aldehydes: A quantum mechanical investigation Save
- Correction: Mechanism of Ag(I)‑catalyzed azide-alkyne cycloaddition reaction: a quantum mechanical investigation (Reaction Kinetics, Mechanisms and Catalysis, (2022), 10.1007/s11144-022-02316-5) Save
- Quantum mechanical investigations of base-catalyzed cycloaddition reaction between phenylacetylene and azidobenzene Save
- Calculations of hydrogenation enthalpies of hydrocarbons by M06-2X/CBS extrapolated level in the gas phase Save
- 1, 3 Dipolar Cycloaddition Reaction of Benzyl Azide with Cyclohex-2-en-1-One: Experimental and Computational Study Save