3 papers
physics.chem-ph2025
Theoretical Exploration of the Diene-Transmissive Hetero-Diels-Alder Strategy Toward Boron-Functionalized Octahydroquinolines
Amine Rafik, Abdeljabbar Jaddi, Khalid Abbiche +3
A diene-transmissive hetero-Diels-Alder strategy, grounded in previous experimental works and employing boronated dienophiles, is proposed for the synthesis of boron-bearing octahy…
physics.chem-ph2025
Phenomenological characterization of the isomerization transition state of carbonyl sulfide
Amine Rafik, Jamil Khalouf-Rivera, F. Pérez-Bernal +2
Signatures of excited-state quantum phase transitions in the bending degree of freedom of triatomic systems that undergo an isomerization reaction have been recently evinced. In th…
physics.chem-ph2024
Insights into the Mechanism, Selectivity, and Substituent Effects in the Diels-Alder Reaction of Azatrienes with Electron-rich Dienophiles: An MEDT Study
Amine Rafik, Abdeljabbar Jaddi Mohammed Salah, Najia Komiha +2
The reactivity and mechanistic intricacies of azatrienes in Diels-Alder reactions have been relatively unexplored despite their intriguing potential applications. In this study, we…