TOPOLOGICAL RESONANCE ENERGY PREDICTIONS OF THE STABILITY OF FULLERENE CLUSTERS

Authors
MANOHARAN M BALAKRISHNARAJAN MM VENUVANALINGAM P BALASUBRAMANIAN K
Citation
M. Manoharan et al., TOPOLOGICAL RESONANCE ENERGY PREDICTIONS OF THE STABILITY OF FULLERENE CLUSTERS, Chemical physics letters, 222(1-2), 1994, pp. 95-100
Citations number
30
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
222
Issue
1-2
Year of publication
1994
Pages
95 - 100
Database
ISI
SICI code
0009-2614(1994)222:1-2<95:TREPOT>2.0.ZU;2-9
Abstract
The topological resonance energies (TRE) for various fullerene cluster s (C20 to C60) have been computed and based on this, stabilities of fu llerenes are discussed. Trend in stability predicted by the TRE model is compared with predictions from the conjugated circuit model as well as the MNDO and ab initio methods. Reasonable agreement is found betw een the TRE model and rigorous quantum mechanical methods.