A carregar...
Global diabatic potential energy surfaces and quantum dynamical studies for the Li(2p) + H(2)(X(1)Σ(+)(g)) → LiH(X(1)Σ(+)) + H reaction
The global diabatic potential energy surfaces which are correlated with the ground state 1A′ and the excited state 2A′ of the Li(2p) + H(2) reaction are presented in this study. The multi-reference configuration interaction method and large basis sets (aug-cc-pVQZ for H atom and cc-pwCVQZ for Li ato...
Na minha lista:
| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2016
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4850413/ https://ncbi.nlm.nih.gov/pubmed/27125781 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep25083 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|