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The lowest energy structures of C+7, C7 and C−7. An ab initio study

✍ Scribed by Gert von Helden; William E. Palke; Michael T. Bowers

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
492 KB
Volume
212
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab initio calculations have been carried out, indicating the ground state of CT is cyclic ( z 0.9 eV more stable than linear C$ ) but C, and CT have linear ground states. Calculations also indicate that the ring opening transition state in CT lies x2.3 eV above the ground state and is of near Csv symmetry.

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