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Statistical model for delocalized π bonding in the C60 molecule

✍ Scribed by Daniel J. Lacks; Sabre Kais

Book ID
103032875
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
421 KB
Volume
218
Category
Article
ISSN
0009-2614

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✦ Synopsis

We present a model for the Cm molecule in which the o bond energy is given by pairwise Morse potentials and the 1~ bond energy is given by a statistical model. Good results for the binding energy and equilibrium sphere radius are obtained when exchange and correlation energies are included in the model, whereas poor results are obtained when these effects are neglected.

📜 SIMILAR VOLUMES

BaxC60 fullerides: π Electronic peculiar
BaxC60 fullerides: π Electronic peculiarities of the C60 molecule and their consequences for the solid state
✍ Michael C. Böhm; Joachim Schulte; Johannes Schütt; Thomas Schedel-Niedrig; Haral 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 780 KB

The electronic structure of Ba C fullerides was studied theoretically x 60 under special consideration of electronic effects in the C molecule. Band structure 60 Ž . data were derived by an intermediate neglect of differential overlap INDO crystal Ž . orbital CO approach. Different electronic config