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)...

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Detalles Bibliográficos
Autores principales: Broclawik, E., Góra-Marek, K., Radoń, M., Bučko, T., Stępniewski, A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2017
Materias:
Original Paper
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

Internet

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

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