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Improved microcanonical instanton theory
Canonical (thermal) instanton theory is now routinely applicable to complex gas-phase reactions and allows for the accurate description of tunnelling in highly non-separable systems. Microcanonical instanton theory is by contrast far less well established. Here, we demonstrate that the best establis...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9586254/ https://www.ncbi.nlm.nih.gov/pubmed/35929848 http://dx.doi.org/10.1039/d2fd00063f |