Influence of Guest−Host Interactions on the Structural, Energetic, and Mössbauer Spectroscopy Properties of Iron(II)tris(2,2′-Bipyridine) in the Low-Spin and High-Spin States: A Density-Functional Theory Study of the Zeolite-Y Embedded Complex

Journal of Chemical Theory and Computation - United States
doi 10.1021/ct800284g
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American Chemical Society (ACS)

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