Hexabenzocoronene functionalized with porphyrin and P-core-modified porphyrin: A comparative computational study
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DOI: 10.1016/j.comptc.2020.112973
Abstract: Abstract We have done the first detailed comparative density functional theory (DFT) study of two novel model building blocks composed of HBC linked with regular porphyrin ZnP and its completely P-core-modified counterpart ZnP(P)4. Our study… read more here.
Keywords: building blocks; study; znp; porphyrin core ... See more keywords