Interaction Study of Oxygen and Iron-Sulfur Clusters Based on the Density Functional Theory

Table 2

Imaginary frequency of transition state in the reaction between O₂ and Fe₄S₄ clusters.

Species	Frequency/cm^−1
TS1	−483.77
TS2	−241.04
TS3	−62.04
TS4	−46.10
TS5	−91.56
TS6	−14.76
TS7	−56.66
TS8	−41.79
TS9	−264.29
TS10	−119.14
TS11	−404.57
TS12	−126.30
TS13	−9.41
TS14	−638.53
TS15	−744.97
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