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Relative stabilities of C76 isomers. A numerical test of the fullerene isolated-pentagon rule

โœ Scribed by S.J. Austin; P.W. Fowler; G. Orlandi; D.E. Manolopoulos; F. Zerbetto


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
593 KB
Volume
226
Category
Article
ISSN
0009-2614

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Further test of the isolated pentagon ru
โœ Jun-Ichi Aihara; Sumio Oe; Mitsuho Yoshida; Eiji ลŒsawa ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 654 KB

Thermodynamic and kinetic stabilities of 73 C 84 fullerene isomers were estimated from the MM3 heats of formation and the recently defined bond resonance energies (BREs), respectively. The BRE represents the contribution of a given rr bond in a molecule to the topological resonance energy (TRE). All