## Abstract Dynamic protonation equilibria in water of one 4‐methylimidazole molecule as well as for pairs and groups consisting of 4‐methylimidazole, acetic acid and bridging water molecules are studied using Q‐HOP molecular dynamics simulation. We find a qualitatively different protonation behavi
✦ LIBER ✦
Dynamic Protonation Equilibrium of Solvated Acetic Acid
✍ Scribed by Wei Gu; Tomaso Frigato; Tjerk P. Straatsma; Volkhard Helms
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 412 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0044-8249
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