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0011395849
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note
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For ethylene dissociation from 17 and 10, the two Ir-C (ethylene) bond lengths are assumed to be identical along the reaction coordinate. This assumption should work well for 17 since the two Ir-C (ethylene) bonds are equal in 17. However, because the two Ir-C (ethylene) bonds are not equal in 10, the energy calculated by assuming two identical Ir-C bonds should provide an upper bound to the corresponding value along the "true" ethylene dissociation coordinate.
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