Energetic and Spectroscopic Properties of the Low-Lying Isomers of C<sub>5</sub>H: A High-Level Ab Initio Study
Fourteen highly reactive isomers of C<sub>5</sub>H and their ionic counterparts have been theoretically investigated using density functional theory (DFT) and coupled-cluster methods. The linear C<sub>5</sub>H (<i>l</i>-C<sub>5</sub>H) radical, pent-1,...
| Hoofdauteurs: | , , , , |
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| Formaat: | Artikel |
| Taal: | English |
| Gepubliceerd in: |
MDPI AG
2023-08-01
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| Reeks: | Atoms |
| Onderwerpen: | |
| Online toegang: | https://www.mdpi.com/2218-2004/11/9/115 |