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Quantum dynamics study of energy requirement on reactivity for the HBr + OH reaction with a negative-energy barrier
A time-dependent, quantum reaction dynamics approach in full dimensional, six degrees of freedom was carried out to study the energy requirement on reactivity for the HBr + OH reaction with an early, negative energy barrier. The calculation shows both the HBr and OH vibrational excitations enhance t...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5223161/ https://www.ncbi.nlm.nih.gov/pubmed/28071762 http://dx.doi.org/10.1038/srep40314 |