Computational exploration of NO single-site disproportionation on Fe-MOF-5
Nitric oxide disproportionation at the site-isolated Fe centers of the metal organic framework material known as Fe-MOF-5 has been explored with density functional theory (DFT). The computed reaction sequence supports the mechanism suggested by experiment that involves the formation of the monoanion...
| Հիմնական հեղինակներ: | , , , |
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| Այլ հեղինակներ: | |
| Ձևաչափ: | Հոդված |
| Լեզու: | English |
| Հրապարակվել է: |
American Chemical Society (ACS)
2020
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| Առցանց հասանելիություն: | https://hdl.handle.net/1721.1/126238 |