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A quantitative structure-property study of reorganization energy for known p-type organic semiconductors
(Royal Society of Chemistry, 2018)
Intramolecular reorganization energy (RE), which quantifies the electron-phonon coupling strength, is an important charge transport parameter for the theoretical characterization of molecular organic semiconductors (OSCs). ...
Computational investigation of intramolecular reorganization energy in diketopyrrolopyrrole (DPP) derivatives
Intramolecular reorganization energy (RE) of molecules derived from the diketopyrrolopyrrole (DPP) unit has been studied using B3LYP/6-31G(d,p) theory. It was found that the replacement of the oxygen atoms with sulfur in ...