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Collision Efficiency Parameter Influence on Pressure-Dependent Rate Constant Calculations Using the SS-QRRK Theory
[Image: see text] The system-specific quantum Rice–Ramsperger–Kassel (SS-QRRK) theory (J. Am. Chem. Soc.2016, 138, 2690) is suitable to determine rate constants below the high-pressure limit. Its current implementation allows incorporating variational effects, multidimensional tunneling, and multist...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7458424/ https://www.ncbi.nlm.nih.gov/pubmed/32663402 http://dx.doi.org/10.1021/acs.jpca.0c02943 |