𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Stability of Isolated-Pentagon-Rule Isomers of Fullerene C 76

✍ Scribed by Khamatgalimov, Ayrat R.; Kovalenko, Valeri I.

Book ID
126493744
Publisher
Taylor and Francis Group
Year
2014
Tongue
English
Weight
273 KB
Volume
23
Category
Article
ISSN
1536-383X

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Further test of the isolated pentagon ru
Further test of the isolated pentagon rule: Thermodynamic and kinetic stabilities of C84 fullerene isomers
✍ Jun-Ichi Aihara; Sumio Oe; Mitsuho Yoshida; Eiji Ōsawa πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 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

AM1 computations on seven isolated-penta
AM1 computations on seven isolated-pentagon-rule isomers of C80
✍ Mei-Ling Sun; ZdenΔ›k Slanina; Shyi-Long Lee; Filip UhlΓ­k πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 438 KB

The complete set of seven isolated-pentagon-rule isomers of C80 is described by the AM1 quantum-chemical method, and their energetics is also checked by the SAM1 computations. Considerable temperature effects on the relative stabilities in the system are reported. The ground-state structure is a D5d