Abstract
Ab initio Hartree-Fock-Roothaan calculations have been performed on clusters of increasing size modelling polyacetylene-polyme thineimeine copolymers of various compositions. The resulting cluster orbitals have been analyzed and classified as interface, potential-well and bulk states. The implications for molecular-electronic devices are discussed.
| Original language | English |
|---|---|
| Pages (from-to) | 681-683 |
| Number of pages | 3 |
| Journal | Solid State Communications |
| Volume | 65 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - Feb 1988 |
| Externally published | Yes |
ASJC Scopus subject areas
- General Chemistry
- Condensed Matter Physics
- Materials Chemistry
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