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NO(2) dissociation on Ag(111) revisited by theory.
Hellman A, Panas I, Grönbeck H. Hellman A, et al. Among authors: panas i. J Chem Phys. 2008 Mar 14;128(10):104704. doi: 10.1063/1.2832303. J Chem Phys. 2008. PMID: 18345916
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: panas i. 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 …
32 results