Capture carcinogenic aromatic compounds by the design of new tweezer compounds: a theoretical study
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DOI: 10.1007/s00894-020-04558-3
Abstract: Both [5]-circulene and [7]-circulene can be selected to design the molecular tweezers theoretically using the DFT method. Leaning on the cyclic polymerization mechanism, we obtain four new tweezer compounds. Theoretical results offer that tweezer compound… read more here.
Keywords: tweezer compounds; energy; tweezer compound; compounds theoretical ... See more keywords