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) |
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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
- General Chemistry