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Influence of Mg2+ on the Guanine–Cytosine Tautomeric Equilibrium: Simulations of the Induced Intermolecular Proton Transfer

✍ Scribed by Dr. José P. Cerón-Carrasco; Prof. Denis Jacquemin

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
687 KB
Volume
12
Category
Article
ISSN
1439-4235

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📜 SIMILAR VOLUMES

On the mechanism of proton transfer in t
On the mechanism of proton transfer in the 2-hydroxypyridine α 2-pyridone tautomeric equilibrium
✍ Martin J. Scanlan; Ian H. Hillier 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 234 KB

The saddle point for the proton transfer invohred in the equilibrium 2-hydroxypyridine = 2-pyridone has been calculated in it 3-21G basis to be 206 kJ mol-\* above the hctim form, for a unimo!ecular mechanism. This barrier is estimated to be rc-du=d to 46 kJ mol-l in the self-associated dimer.