| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383987 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠Ab initio studies for the adsorption of CO on a single C60 fullerene have been performed. ⺠Weak interaction on MP2 level has been found. ⺠Potential energy curve for an electronically excited adsorbate state has been calculated. ⺠Quantum dynamical description of photodesorption is given from first principles.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Jan Mitschker, Thorsten Klüner,