Quantum mechanical study of polaron formation in oligo[methyl(phenyl)silane] was performed. The conformations of the neutral, positively and negatively charged OPMSi were optimized by means of B3LYP method.
Quantum mechanical study of polaron formation in oligo[methyl(phenyl)silane] was performed. The conformations of the neutral, positively and negatively charged OPMSi were optimized by means of B3LYP method. (en)