Cargando…
The dependence on ammonia pretreatment of N−O activation by Co(II) sites in zeolites: a DFT and ab initio molecular dynamics study
This work is focused on the donor properties of cobalt-exchanged cationic sites in zeolites. It is based on cluster and periodic density functional theory modeling for relevant {[Co(II)(NH(3))(n)]–NO} adducts, where Co(II) means a cobalt cation embedded either in a periodic model of chabasite (CHA)...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Berlin Heidelberg
2017
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5393292/ https://www.ncbi.nlm.nih.gov/pubmed/28409286 http://dx.doi.org/10.1007/s00894-017-3322-z |