| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383759 | Chemical Physics Letters | 2011 | 7 Pages |
Abstract
âºTheoretical and experimental results shed light on the phenyl + phenyl reaction. ⺠Benzyne formation in the phenyl + phenyl reaction is important. ⺠Rate for benzyne formation is one order of magnitude below recombination rate. ⺠Coupled-cluster barrier heights differ significantly from CASPT2 results. ⺠Satisfactory agreement between B3LYP and coupled-cluster results.
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Authors
Steffen H. Dürrstein, Matthias Olzmann, Jorge Aguilera-Iparraguirre, Robert Barthel, Wim Klopper,