Catalysis-Hub.org, an open electronic structure database for surface reactions

We present a new open repository for chemical reactions on catalytic surfaces, available at https://www.catalysis-hub.org. The featured database for surface reactions contains more than 100,000 chemisorption and reaction energies obtained from electronic structure calculations, and is continuously b...

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Detalles Bibliográficos
Autores principales: Winther, Kirsten T., Hoffmann, Max J., Boes, Jacob R., Mamun, Osman, Bajdich, Michal, Bligaard, Thomas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6538711/
https://www.ncbi.nlm.nih.gov/pubmed/31138816
http://dx.doi.org/10.1038/s41597-019-0081-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6538711/
https://www.ncbi.nlm.nih.gov/pubmed/31138816
http://dx.doi.org/10.1038/s41597-019-0081-y

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