Ab Initio Study of Phosphorescence of Hetero[8]Circulenes
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DOI: 10.1007/s11182-019-01727-7
Abstract: Quantum chemical calculations of phosphorescence lifetime are performed for the first time by ab initio CC2 and TD-DFT methods for hetero[8]circulenes bearing Si and Ge atoms. According to the results of calculations, a lower value… read more here.
Keywords: initio study; hetero circulenes; phosphorescence; circulene ... See more keywords