Abstract
The MP2 perturbation treatment with the 6-31G basis set has been applied to linear, cyclic, and polyhedral structures of Cn, n = 6-13, esp. to C12 in this report. While the linear and cyclic species can co-exist, polyhedral ones are too high in energy. Preliminary results on C8H (related to diffuse interstellar bands) are reported, too.
| Original language | English (US) |
|---|---|
| Title of host publication | Materials Research Society Symposium - Proceedings |
| Publisher | Materials Research Society |
| Pages | 163-168 |
| Number of pages | 6 |
| Volume | 359 |
| State | Published - 1995 |
| Externally published | Yes |
| Event | Proceedings of the 1994 MRS Fall Meeting - Boston, MA, USA Duration: Nov 28 1994 → Nov 30 1994 |
Other
| Other | Proceedings of the 1994 MRS Fall Meeting |
|---|---|
| City | Boston, MA, USA |
| Period | 11/28/94 → 11/30/94 |
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ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
Cite this
Smaller carbon clusters : linear, cyclic, polyhedral. / Slanina, Z.; Lee, S. L.; Smigel, M.; Kurtz, J.; Adamowicz, Ludwik.
Materials Research Society Symposium - Proceedings. Vol. 359 Materials Research Society, 1995. p. 163-168.Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
}
TY - GEN
T1 - Smaller carbon clusters
T2 - linear, cyclic, polyhedral
AU - Slanina, Z.
AU - Lee, S. L.
AU - Smigel, M.
AU - Kurtz, J.
AU - Adamowicz, Ludwik
PY - 1995
Y1 - 1995
N2 - The MP2 perturbation treatment with the 6-31G basis set has been applied to linear, cyclic, and polyhedral structures of Cn, n = 6-13, esp. to C12 in this report. While the linear and cyclic species can co-exist, polyhedral ones are too high in energy. Preliminary results on C8H (related to diffuse interstellar bands) are reported, too.
AB - The MP2 perturbation treatment with the 6-31G basis set has been applied to linear, cyclic, and polyhedral structures of Cn, n = 6-13, esp. to C12 in this report. While the linear and cyclic species can co-exist, polyhedral ones are too high in energy. Preliminary results on C8H (related to diffuse interstellar bands) are reported, too.
UR - http://www.scopus.com/inward/record.url?scp=0029228876&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0029228876&partnerID=8YFLogxK
M3 - Conference contribution
VL - 359
SP - 163
EP - 168
BT - Materials Research Society Symposium - Proceedings
PB - Materials Research Society
ER -