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New diabatic potential energy surfaces of the NaH(2) system and dynamics studies for the Na(3p) + H(2) → NaH + H reaction

The Na(3p) + H(2)(X(1)Σ(g)(+)) → NaH(X(1)Σ(+)) + H((2)S) reaction plays an important role in the field of diabatic reaction dynamics. A set of new diabatic potential energy surfaces (PESs) of the NaH(2) system are structured, which include the diabatic coupling between the lowest two adiabatic state...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Wang, Shufen, Yang, Zijiang, Yuan, Jiuchuang, Chen, Maodu
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6299287/
https://ncbi.nlm.nih.gov/pubmed/30568250
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-35987-z
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