Journal of Chemical Physics, Vol.102, No.18, 7106-7115, 1995
Conductivity in Polyacetylene .1. Ab-Initio Calculation of Charge Localization, Bond Distances, and Reorganization Energy in Model Molecules
Keywords:ELECTRON-TRANSFER REACTIONS;DOPED POLYACETYLENE;RAMAN-SPECTROSCOPY;ABINITIO;SOLITONS;POLYENES;POLYMERS;TRANSPOLYACETYLENE;(CH)X;DEFECTS