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Revisiting the Intriguing Electronic Features of the BeOBeC Carbyne and Some Isomers: A Quantum‐Chemical Assessment
Extensive high‐level quantum‐chemical calculations reveal that the rod‐shaped molecule BeOBeC, which was recently generated in matrix experiments, exists in two nearly isoenergetic states, the (5)Σ quintet ((5) 6) and the (3)Σ triplet ((3) 6). Their IR features are hardly distinguishable at finite t...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7540417/ https://www.ncbi.nlm.nih.gov/pubmed/32568419 http://dx.doi.org/10.1002/anie.202007990 |