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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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| Publicado no: | Sci Data |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6538711/ https://ncbi.nlm.nih.gov/pubmed/31138816 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41597-019-0081-y |
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