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DFT calculated beta-spin energy-level comparison of disulfide (S22−), disulfide(•1−) (S2•−), bis-disulfide(•1−) ([(S2)2]2−) and 3. S2•− is a one-hole system (S=1/2), while both bis-disulfide(•1−) and 3 are two-hole systems (S=0). Blue line indicates the gap between .
