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Reaction Mechanism of Low-Spin Iron(III)- and Cobalt(III)-Containing Nitrile Hydratases: A Quantum Mechanics Investigation.
- Mario Prejanò, Tiziana Marino, C. Rizzuto, Josè Carlos Madrid Madrid, N. Russo, M. Toscano
- Chemistry, Medicine
- Inorganic chemistry
- 23 October 2017
To elucidate the catalytic mechanism of cobalt(III)-benzonitrile and iron(III)--pivalonitrile hydratases, we have performed at density functional level a study using the cluster model approach.… Expand