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33646440878
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note
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The angles between the least-squares planes of a nitroxide moiety and p-phenylene, and p-phenylene and uracyl are 6.8(0.4)° and 28.5(0.1)°, respectively.
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-
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14
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33646454125
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note
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(a) Using a model compound 9 (Figures S6-S9, Supporting Information), in which the deoxyribose moiety is replaced with a methyl group, spin densities of 0.04, -0.03, and 0.005 at the atoms corresponding to C6, C5, and O2 in 1 are calculated at the UB3LYP/6-31(d) level, respectively.
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33646454730
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note
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-1 are obtained.
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17
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0001332975
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33646457541
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note
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1/2kT.
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22
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0019211893
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Prusoff, W.H.5
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