| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382489 | Chemical Physics Letters | 2013 | 7 Pages |
Abstract
⺠TD-DFT and ZINDO/s calculations of C3v and C3 symmetry buckybowls are reported. ⺠Magnetic circular dichroism spectroscopy was used to validate the theoretical descriptions. ⺠Michl's perimeter model was used as a conceptual framework to analyze the results. ⺠Faraday B0 terms and A1 term were found corresponding to the L and B transitions, respectively.
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Authors
John Mack, Yuki Morita, Shuhei Higashibayashi, Hidehiro Sakurai, Nagao Kobayashi,