Unveiling the Mechanism and Selectivity of the [3 + 2] Cycloaddition Reactions of Nitrone with Acetylene Derivatives Leading to Anticancer 4-Isoxazoline Derivatives from the MEDT Perspective
COMPUTATIONAL AND THEORETICAL CHEMISTRY(2024)
关键词
DFT/B3LYP-D3,Regioselectivity,MEDT,ELF
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