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S-T value was in good agreement with the theoretical value of 2590 K calculated for 2 at the B3LYP/6-31G* level.
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S-T value was in good agreement with the theoretical value of 2590 K calculated for 2 at the B3LYP/6-31G* level.
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S-T for 1 was estimated to be 6810 K at the B3LYP/6-31G* level.
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S-T for 1 was estimated to be 6810 K at the B3LYP/6-31G* level.
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