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carbon clusters: Prevalence of the monocyclic isomer and existence of the smallest fullerene and bowl isomer

✍ Scribed by Lu, Jing; Re, Suyong; Choe, Yoong-kee; Nagase, Shigeru; Zhou, Yunsong; Han, Rushan; Peng, Lianmao; Zhang, Xinwei; Zhao, Xiangeng


Book ID
121417621
Publisher
The American Physical Society
Year
2003
Tongue
English
Weight
363 KB
Volume
67
Category
Article
ISSN
1098-0121

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The stability of cage and ring isomers f
✍ Frank Jensen πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 518 KB

Ab initio calculations, typically at the MPZ/DZP level, have in several cases shown that cage structures ofthe fullerene type are energetically favored over cyclic geometries. As this appears to be at variance with experimental findings, it is of interest to investigate whether the MPZ/DZP procedure