نتایج جستجو برای: activation energies

تعداد نتایج: 476631  

Journal: :Journal of Polymer Science Part A-1: Polymer Chemistry 1968

Journal: :The journal of physical chemistry. B 2005
Alfred B Anderson Jérôme Roques Sanjeev Mukerjee Vivek S Murthi Nenad M Markovic Vojislav Stamenkovic

A combined theoretical and experimental analysis of the electrode potential dependencies of activation energies is presented for the first step in oxygen reduction over platinum and platinum alloy catalysts in both polycrystalline and carbon supported form. Tafel data for several of the catalysts are used to predict potential-dependent activation energies for oxygen reduction over the 0.6-0.9 V...

Journal: :Journal of the American Chemical Society 2003
Angelos Michaelides Z-P Liu C J Zhang Ali Alavi David A King P Hu

The activation energy to reaction is a key quantity that controls catalytic activity. Having used ab inito calculations to determine an extensive and broad ranging set of activation energies and enthalpy changes for surface-catalyzed reactions, we show that linear relationships exist between dissociation activation energies and enthalpy changes. Known in the literature as empirical Brønsted-Eva...

A theoretical study at the B3LYP/6-31++G(d,p) level was performed on the tatumerization of 7H-purine-2, 6-diamine into 9H-purine-2, 6-diamine. Such a tautomerism can take place via three different pathways namely A, B, and C. The energetic results associated with the gas phase reveal that pathways A, B, and C display a very high activation Gibbs free energy of 45.1, 68.6 and 48.9 kcal/mol, resp...

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