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Analysis of Main Factors Determining the Prediction of Stabilization Energies of Halide-water Clusters

✍ Scribed by Regla Ayala; José M. Martínez; Rafael R. Pappalardo; Enrique Sánchez Marcos

Book ID
105885918
Publisher
Springer
Year
2006
Tongue
English
Weight
171 KB
Volume
116
Category
Article
ISSN
1432-2234

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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