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Understanding the mechanism and regio- and stereo selectivity of [3 + 2] cycloaddition reactions between substituted azomethine ylide and 3,3,3-trifluoro-1-nitroprop-1-ene, within the molecular electron density theory.
J Comput Chem. 2023 May 5;44(12):1208-1220. doi: 10.1002/jcc.27080. Epub 2023 Jan 28.
J Comput Chem. 2023.
PMID: 36708224
Effect of hydrogen bonds and CF3 group on the regioselectivity and mechanism of [3 + 2] cycloaddition reactions between nitrile oxide and 2,4-disubstituted cyclopentenes. A MEDT study.
Chouit H, Sobhi C, Bouasla S, Messikh S, Kheribeche A, Khorief Nacereddine A.
Chouit H, et al. Among authors: sobhi c.
J Mol Model. 2022 Mar 26;28(4):104. doi: 10.1007/s00894-022-05086-y.
J Mol Model. 2022.
PMID: 35347455
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