Figure 3 from On the Structure, Magnetic Properties, and Infrared Spectra of Iron Pseudocarbynes in the Interstellar Medium

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On the Structure, Magnetic Properties, and Infrared Spectra of Iron Pseudocarbynes in the Interstellar Medium

Authors: Pilarisetty Tarakeshwar, Peter R. Buseck, and F. X. Timmes

2019 The Astrophysical Journal 879 2.

Provider: AAS Journals

Caption: Figure 3.

Calculated energies of different spin multiplicities of (a) Fe₄, and (b) Fe₁₂ clusters at the BP86/def2-TZVP level of theory. Their lowest energy structures, shown as insets, possess spin multiplicities of M_s = 15 and M_s = 39, respectively.

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