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Selectivity of Cobalt Corrole for CO vs. O(2) and N(2) in Indoor Pollution
Coal combustion causes indoor pollution of CO. In this work, DFT calculations on cobalt corrole (Co(Cor)) with three most common indoor gas molecules (N(2), O(2) and CO) were performed. The Mulliken spin densities show that the ground states of Co(N(2))(Cor), Co(CO)(Cor) and Co(OC)(Cor) have an anti...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5674038/ https://www.ncbi.nlm.nih.gov/pubmed/29109459 http://dx.doi.org/10.1038/s41598-017-15228-5 |