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This program assumes that only the ground states are populated, including Dm, Em, g, and Zeeman interactions and incorporating a full powder average; for details see Shores, M. P, Sokol, J. J, Long, J. R. J. Am. Chem. Soc. 2002, 124, 2279-2292
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m, g, and Zeeman interactions and incorporating a full powder average; for details see Shores, M. P.; Sokol, J. J.; Long, J. R. J. Am. Chem. Soc. 2002, 124, 2279-2292.
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60
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34548044977
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i, and α; for details see Scheme S1, Eq S3, refs 2a, 2c, and 4a.
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i, and α; for details see Scheme S1, Eq S3, refs 2a, 2c, and 4a.
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61
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34548018462
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is the distance between the single ions; for details see Eq S3, refs 2a, 2c, and 4
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3, where J is the coupling constant and r is the distance between the single ions; for details see Eq S3, refs 2a, 2c, and 4.
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3, where J is the coupling constant and r
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