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. 2018 Jan 11;8(5):2678–2707. doi: 10.1039/c7ra11829e

Summary of NACs for ozone singlet, +1 doublet, and triplet. The range in each cell is the minimum and the maximum value across the different levels of theory for the underlined atoms.

Spin state NACs
O̲–O–O̲ O–O̲–O
Singlet −0.179–−0.195 0.357–0.389
+1 doublet 0.231–0.338 0.431–0.515
Triplet −0.118–−0.067 0.134–0.236