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. Author manuscript; available in PMC: 2016 Oct 1.
Published in final edited form as: Chem Sci. 2015 Jul 3;6(10):5670–5679. doi: 10.1039/c5sc02102b

Table 1.

EPR g and A values for 1-hole CuZ, obtained from simulations included in Figure 2 and Figure S2 with values for CuZ* reproduced from Reference 15.

1-hole CuZ 1-hole CuZ*
g|| 2.152 2.160
A|| 56×10−4 cm−1 61×10−4 cm−1
56×10−4 cm−1 23×10−4 cm−1
56×10−4 cm−1
g⊥ 2.042 2.043
A⊥ 20×10−4 cm−1 25×10−4 cm−1
20×10−4 cm−1 20×10−4 cm−1
20×10−4 cm−1