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A more effective catalysis of the CO(2) fixation with aziridines: computational screening of metal-substituted HKUST-1
A vital issue for the fixation and conversion of CO(2) into useful chemical products is to find effective catalysts. In this work, in order to develop more effective and diverse catalysts, we implemented the first computational screening study (at M06-2X//B3LYP level) on the cycloaddition of CO(2) w...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
RSC
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9419783/ https://www.ncbi.nlm.nih.gov/pubmed/36132833 http://dx.doi.org/10.1039/d1na00150g |