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Dynamic protonation equilibrium of solvated acetic acid |
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| Authors: | Gu Wei Frigato Tomaso Straatsma Tjerk P Helms Volkhard |
| Affiliation: | 1. Zentrum für Bioinformatik, Universit?t des Saarlandes, 66041 Saarbrücken, Germany, Fax: (+49)?681‐302‐64180 http://gepard.bioinformatik.uni‐saarland.de;2. Computational Sciences and Mathematics Division, Pacific Northwest National Laboratory, Richland, WA 99352, USA |
| Abstract: | |
| Keywords: | acidity carboxylic acids molecular dynamics proton transfer reaction mechanisms |
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