The electronic and dynamic properties of all-trans polyacetylene have been calculated on the basis of oligomer calculations on H-(CH)10-H and H-(CH)22-H at the ab initio 6-31G level. The calculated ir and Raman intensities are in good agreement with the experimental relative intensities.
|Number of pages||3|
|Journal||Journal of Chemical Physics|
|Publication status||Published - 1990|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics