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A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the [Formula: see text] Reaction
Because of fundamental importance in astrochemistry, the [Formula: see text] reaction has been studied experimentally in a wide temperature range. Theoretical studies of the title reaction significantly lag primarily due to the challenges associated with the proper treatment of the zero-point energy...
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| Publicado no: | J Phys Chem Lett |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6031303/ https://ncbi.nlm.nih.gov/pubmed/29633841 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.8b00783 |
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