New Stress Test for Ring Polymer Molecular Dynamics: Rate Coefficients of the O(
| Autor: | M, Menéndez, P G, Jambrina, A, Zanchet, E, Verdasco, Y V, Suleimanov, F J, Aoiz |
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| Rok vydání: | 2019 |
| Zdroj: | The journal of physical chemistry. A. 123(37) |
| ISSN: | 1520-5215 |
| Popis: | In the past decade, ring polymer molecular dynamics (RPMD) has emerged as a very efficient method to determine thermal rate coefficients for a great variety of chemical reactions. This work presents the application of this methodology to study the O( |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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