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...

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Detalles Bibliográficos
Autores principales: Wang, Yuping, Li, Yida, Wang, Dunyou
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5223161/
https://www.ncbi.nlm.nih.gov/pubmed/28071762
http://dx.doi.org/10.1038/srep40314

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