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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

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

Vargas, Alfredo; Hauser, Andreas; Lawson Daku, Latévi Max
  • 期刊名称Journal of Chemical Theory and Computation
  • 作者Vargas, Alfredo; Hauser, Andreas; Lawson Daku, Latévi Max
  • 卷第5卷
  • 期第1期
  • 印刷ISSN1549-9618
  • 电子ISSN1549-9626
  • 文件大小1274.99KB
  • 发表时间2009-01-13
  • DOI10.1021/ct800284g
  • 页码97-115
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