Theoretical survey of Diels-Alder between acrylic acid and isoprene catalyzed by the titanium tetrachloride and titanium tertafluoride
R Zahnoune, F Asserne, N Ourhriss, AO Aitouna… - Journal of Molecular …, 2022 - Elsevier
Abstract The [4+ 2] cycloaddition reaction catalyzed by the Lewis acids TiC l 4 & Ti F 4 of
acrylic acid and isoprene has been studied within the molecular electron density theory …
acrylic acid and isoprene has been studied within the molecular electron density theory …
Explaining the selectivities and the mechanism of [3+ 2] cycloloaddition reaction between isoalantolactone and diazocyclopropane
A Ouled Aitouna, A Barhoumi… - Journal of Molecular …, 2023 - Springer
Abstract Context [3+ 2] cycloaddition processes between isoalantolactone (ISALL) and
diazocyclopropane (DCYP), have been surveyed exercising the MEDT, reactivity indices …
diazocyclopropane (DCYP), have been surveyed exercising the MEDT, reactivity indices …
Chromatography scrutiny, molecular docking, clarifying the selectivities and the mechanism of [3+ 2] cycloloaddition reaction between linallol and chlorobenzene …
A Barhoumi, K Ryachi, ME Belghiti, M Chafi… - Journal of …, 2024 - Springer
Abstract Employing the Molecular Electron Density Theory,[3+ 2] cycloaddition processes
between 4-chlorobenzenenitrileoxide and linalool, have been applied using the …
between 4-chlorobenzenenitrileoxide and linalool, have been applied using the …
Understanding the molecular mechanism of the stereoselective conversion of N-trialkylsilyloxy nitronates into bicyclic isoxazoline derivatives
The conversion of N-trialkylsilyloxy nitronates into bicyclic isoxazoline derivatives has been
explored using the density functional theory (DFT) method within the context of molecular …
explored using the density functional theory (DFT) method within the context of molecular …
Exploration of the mechanism, chemospecificity, regiospecificity and stereoselectivity of the cycloaddition reaction between 9α-hydroxyparthenolide and nitrilimine …
Z Ouahdi, N Ourhriss, AO Aitouna, A Barhoumi… - Theoretical Chemistry …, 2022 - Springer
The 32CA cycloaddition reactions of the hydroxyparthenolide with nitrilimine have been
studied using molecular electron density theory. The reactivity indices, activation and …
studied using molecular electron density theory. The reactivity indices, activation and …
Corrosion inhibition performance of azelaic acid dihydrazide: a molecular dynamics and Monte Carlo simulation study
M Abdelmalek, A Barhoumi, S Byadi, M El Idrissi… - Journal of Molecular …, 2021 - Springer
The adsorption of azelaic acid dihydrazide as an environmentally friendly mild steel
corrosion inhibitor on the iron surface was modeled in this study. We used density functional …
corrosion inhibitor on the iron surface was modeled in this study. We used density functional …
Synthesis, X-ray analysis, and antiviral evaluation of allohimachalol: Insights into stereoselectivity in epoxidation
Allohimachalol, a vital element in Atlas cedar wood essential oil, is obtained through steam
distillation, sha** the oil's distinctive aroma. Its prominence enhances the unique olfactory …
distillation, sha** the oil's distinctive aroma. Its prominence enhances the unique olfactory …
Theoretical insight into the mechanism and selectivity of the [3+ 2] cycloaddition reaction of N-methyl-1-phenylmethanimine oxide and bicyclopropylidene from the …
HA Mohammad-Salim, JV de Julián-Ortiz - Structural Chemistry, 2024 - Springer
The mechanism and regioselectivity of [3+ 2] cycloaddition (32CA) reactions of N-methyl-1-
phenylmethanimine oxide nitrone 1 and bicyclopropylidene 2 are analyzed using molecular …
phenylmethanimine oxide nitrone 1 and bicyclopropylidene 2 are analyzed using molecular …
A MEDT study of the mechanism and selectivity of the hetero-Diels–Alder reaction between 3-benzoylpyrrolo[1,2-c][1,4]-benzoxazine-1,2,4-trione and vinyl acetate
S Ameur, A Barhoumi, M Ríos-Gutiérrez… - Chemistry of …, 2023 - Springer
The chemo-, regio-, and stereoselectivity of the hetero-Diels–Alder reaction between 3-
benzoylpyrrolo [1, 2-c][1, 4] benzoxazine-1, 2, 4-trione and vinyl acetate, has been …
benzoylpyrrolo [1, 2-c][1, 4] benzoxazine-1, 2, 4-trione and vinyl acetate, has been …
Dual docking of some synthesized isoxazolidine derivatives against Cathepsin L and main protease as a novel treatment strategy for COVID-19
Abstract Coronavirus disease 19 (COVID-19) continues to form a stressful threat to various
sectors worldwide. With the advent of a new wave of Omicron sub-variant, exploration of …
sectors worldwide. With the advent of a new wave of Omicron sub-variant, exploration of …