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. Author manuscript; available in PMC: 2011 Sep 1.
Published in final edited form as: Inorg Chem. 2006 Mar 20;45(6):2448–2456. doi: 10.1021/ic051505z

Figure 2.

Figure 2

Computed energetics for the formation of MA/NO, and comparison of E and Z configurations in the anionic form. Relative enthalpies and free energies are given in kcal/mol for the gas phase as computed with B3LYP/6-311+G(d).