Now showing items 1-3 of 3
Electronic properties of silole-based organic semiconductors
(Georgia Institute of Technology, 2004-11)
We report on a detailed quantum-chemical study of the geometric structure and electronic properties of 2,5-bis(6′-(2′,2″-bipyridyl))-1,1-dimethyl-3,4-diphenylsilole (PyPySPyPy) and 2,5-di- (3-biphenyl)-1,1-dimethyl-3,4-d ...
Characterization of the molecular parameters determining charge transport in anthradithiophene
(Georgia Institute of Technology, 2004-05)
The molecular parameters that govern charge transport in anthradithiophene (ADT) are studied by a joint experimental/theoretical approach involving high-resolution gas-phase photoelectron spectroscopy and quantum-mechanical ...
A multimode analysis of the gas-phase photoelectron spectra in oligoacenes
(Georgia Institute of Technology, 2004-04)
We present a multimode vibrational analysis of the gas-phase ultraviolet photoelectron spectra of the first ionization in anthracene, tetracene, and pentacene, using electron-vibration constants computed at the density ...