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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

Table 5.

Total compositions of bonding molecular orbitals with O pz character as determined by calculations for MOCl4 (M = Mo, W).

Non-relativistic Relativistic
MoOCl4 WOCl4 MoOCl4 WOCl4
% M d 40 33 33 30
% M s 8 10 11 17
% M p 2 3 2 3
% O 64 66 69 68
% Cl 87 88 86 82