Theoretical characterization of supramolecular complexes formed by fullerenes and dimeric porphyrins
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DOI: 10.1039/c8nj01467a
Abstract: We have employed the M06-2X, PBE-D3BJ and B3LYP-D3BJ methods to study the hosting of fullerenes by 15 single, dimeric and trimeric porphyrins. We found a poor correlation between the experimental association constants and the calculated… read more here.
Keywords: supramolecular complexes; complexes formed; supramolecular; dimeric porphyrins ... See more keywords