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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...

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Detalles Bibliográficos
Autores principales:	Takayanagi, Toshiyuki, Watabe, Yuya, Miyazaki, Takaaki
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
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

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