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An ETS‐NOCV‐based computational strategies for the characterization of concerted transition states involving CO(2)
Due to the presence of both a slightly acidic carbon and a slightly basic oxygen, carbon dioxide is often involved in concerted transition states (TSs) with two (or more) different molecular events interlaced in the same step. The possibility of isolating and quantitatively evaluating each molecular...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley & Sons, Inc.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9303928/ https://www.ncbi.nlm.nih.gov/pubmed/35194805 http://dx.doi.org/10.1002/jcc.26829 |