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Topological resonance energy predictions of the stability of fullerene clusters

✍ Scribed by M. Manoharan; M.M. Balakrishnarajan; P. Venuvanalingam; K. Balasubramanian

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 490 KB
Volume: 222
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00278-9

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✦ Synopsis

The topological resonance energies (TRE) for various fullerene clusters ( C2a to C,) have been computed and based on this, stabilities of fttllerenes 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 between the TRE model and rigorous quantum mechanical methods.

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