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

J Chem Theory Comput. 2009 Jan 13;5(1):97-115. doi: 10.1021/ct800284g.
No abstract available