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pro vyhledávání: '"Joshua Atta-Kumi"'
Autor:
Sylvia Adomako, Joshua Atta-Kumi, Cecil H. Botchway, Richard Tia, Evans Adei, Albert Aniagyei
Publikováno v:
Journal of Chemistry, Vol 2023 (2023)
Heterocyclic compounds are vital in rational drug design by providing convenient means for the optimization of drugs or drug candidates. Isoxazolidine (a heterocyclic compound) derived from the (3 + 2) cycloaddition reaction is reported to possess an
Externí odkaz:
https://doaj.org/article/ce1ff5ffe83247b6a251bcf158f51634
Publikováno v:
Journal of Molecular Graphics and Modelling. 120:108418
Publikováno v:
Journal of Molecular Modeling. 27
The site-, regio-, and stereo-selectivities of the title reactions have been studied using density functional theory (DFT) at the M06/6-311G(d,p) level of theory. The effects of substituents on both the three-atom component (TAC) and norbornadiene de