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Quantum chemical modeling of the reduction of quinones.
Johnsson Wass JR, Ahlberg E, Panas I, Schiffrin DJ. Johnsson Wass JR, et al. Among authors: ahlberg e. J Phys Chem A. 2006 Feb 9;110(5):2005-20. doi: 10.1021/jp055414z. J Phys Chem A. 2006. PMID: 16451036
Quantum chemical modelling of ethene epoxidation with hydrogen peroxide: role of catalytic sites.
Lundin A, Panas I, Ahlberg E. Lundin A, et al. Among authors: ahlberg e. Phys Chem Chem Phys. 2007 Dec 7;9(45):5997-6003. doi: 10.1039/b710784f. Epub 2007 Oct 3. Phys Chem Chem Phys. 2007. PMID: 18004412
This emphasises the role of the hydrogen bonded network provided by the hydroxylated metal sites, on the stabilisation of the transitions state. In ref. 1 (A. Lundin, I. Panas and E. Ahlberg, J. Phys. Chem. A, 2007, 111, 9080) it was demonstrated that, at the transi …
This emphasises the role of the hydrogen bonded network provided by the hydroxylated metal sites, on the stabilisation of the transitions st …
74 results