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 |
|---|---|
| Pages (from-to) | 859-861 |
| Number of pages | 3 |
| Journal | Chinese Chemical Letters |
| Volume | 7 |
| Issue number | 9 |
| Publication status | Published - 1996 |
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ASJC Scopus subject areas
- Chemistry(all)
Cite this
Guo, H. Y., Wang, P., Jing, L. I., & Burke, L. A. (1996). An oligomer approach to geometry optimization for two dimensional periodic polymers. Chinese Chemical Letters, 7(9), 859-861.