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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 6.

Calculated energies of different spin multiplicities of Fe13–(C2H2)6 at the BP86/def2-TZVP level of theory indicate that the structure with Ms = 35 possesses the lowest energy.

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