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. Author manuscript; available in PMC: 2012 Jan 1.
Published in final edited form as: Faraday Discuss. 2011;148:409–441. doi: 10.1039/c004367m

Figure 6.

Figure 6

Fe-H (Fe-D) bending modes. Spectra at the bottom are from the DFT calculations, with the H isotopomer in black and D in red. Stick figures show the kinetic energy distribution (KED) from Eq. 3.