Accurate Prediction of IrH Bond Dissociation Enthalpies by Density Functional Theory Methods

The iridium hydride complexes have been extensively used in organic reactions, such as oxidation and hydrogenation reactions. In many of these reactions, the dissociation or formation of IrH bond plays an important role in determining the overall reaction rates and yields. In the present study, the...

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Veröffentlicht in:Chinese journal of chemistry 2014-03, Vol.32 (3), p.269-275
Hauptverfasser: Zhou, Yi, Liu, Dingjia, Fu, Yao, Yu, Haizhu, Shi, Jing
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Sprache:eng
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