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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An oligomer approach to geometry optimization for two dimensional periodic polymers. / Guo, Hong You; Wang, Ping; Jing, L. I.; Burke, Luke A.
In: Chinese Chemical Letters, Vol. 7, No. 9, 1996, p. 859-861.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - An oligomer approach to geometry optimization for two dimensional periodic polymers
AU - Guo, Hong You
AU - Wang, Ping
AU - Jing, L. I.
AU - Burke, Luke A.
PY - 1996
Y1 - 1996
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=3142645616&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:3142645616
VL - 7
SP - 859
EP - 861
JO - Chinese Chemical Letters
JF - Chinese Chemical Letters
SN - 1001-8417
IS - 9
ER -