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The Structural Rule of Mo-Fe-S Cluster Compounds

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Applied Quantum Chemistry

Abstract

By means of the structural rule, 9N-L, of transition metal cluster compounds, a relationship between the spin property and the structure of Mo-Fe-S clusters is proposed. The relationship can be further revealed by performing EHMO quantum chemistry calculations. Also the theoretical maximum values of spin are in accordance with experimental results.

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© 1986 D. Reidel Publishing Company, Dordrecht, Holland

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Tang, Ac., Li, Qs., Sun, Cc. (1986). The Structural Rule of Mo-Fe-S Cluster Compounds. In: Smith, V.H., Schaefer, H.F., Morokuma, K. (eds) Applied Quantum Chemistry. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4746-7_13

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  • DOI: https://doi.org/10.1007/978-94-009-4746-7_13

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-8609-7

  • Online ISBN: 978-94-009-4746-7

  • eBook Packages: Springer Book Archive

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