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Reduced-Dimensionality Quantum Dynamics Study of the (3)Fe(CO)(4) + H(2) → (1)FeH(2)(CO)(4) Spin-inversion Reaction
Many chemical reactions of transition metal compounds involve a change in spin state via spin inversion, which is induced by relativistic spin-orbit coupling. In this work, we theoretically study the efficiency of a typical spin-inversion reaction, (3)Fe(CO)(4) + H(2) → (1)FeH(2)(CO)(4). Structural...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7070764/ https://www.ncbi.nlm.nih.gov/pubmed/32079272 http://dx.doi.org/10.3390/molecules25040882 |