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Nonadiabatic dynamics of cobalt tricarbonyl nitrosyl for ligand dissociation induced by electronic excitation
We utilize real-time time-dependent density functional theory and Ehrenfest dynamics scheme to investigate excited-state nonadiabatic dynamics of ligand dissociation of cobalt tricarbonyl nitrosyl, Co(CO)(3)NO, which is a precursor used for cobalt growth in advanced technologies, where the precursor...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8076320/ https://ncbi.nlm.nih.gov/pubmed/33903609 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-88243-2 |
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