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. Author manuscript; available in PMC: 2010 Sep 16.
Published in final edited form as: J Inorg Biochem. 2007 Jul 21;101(11-12):1594–1600. doi: 10.1016/j.jinorgbio.2007.07.011

Figure 3.

Figure 3

Energy level diagram of the five β metal d orbitals for the non-relativistic ADF/BP86 calculations of molybdenum (red, left) and tungsten (green, middle) complexes at the non-relativistic optimized structures and the tungsten complex (blue, right) at the relativistic optimized structure. Energies are relative to those of the S 1s orbitals.