Abstract
The oligomer approach used in geometry optimization for two dimensional polymers and crystals has been developed. Geometry optimization for planar π-conjugated system, graphite, with the oligomer approach has been performed at AM1 level and the result is in good agreement with the experimental.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 859-861 |
| Number of pages | 3 |
| Journal | Chinese Chemical Letters |
| Volume | 7 |
| Issue number | 9 |
| State | Published - 1996 |
All Science Journal Classification (ASJC) codes
- Chemistry(all)