Fullerene Dimers: Cohesive Energy, Electronic Structure, and Vibrational Modes
- 20 March 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 74 (12) , 2319-2322
- https://doi.org/10.1103/physrevlett.74.2319
Abstract
To address experiments suggesting the polymerization of , via four-membered rings, we have performed density-functional-based calculations on a [ dimer. The dimer is bound with respect to the isolated molecules, has a short center-to-center separation, and vibrational signature that is similar to what is observed experimentally.
Keywords
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