WebNov 15, 2024 · Proton thermodynamics of pILs was analyzed by voltammetry, pKa studies, ionicity, and Gurney diagrams considering a Grotthuss-type proton transfer mechanism [6,7]. ... Ann. Chim. LVIII (1806), pp. 54-74. S. Cukierman. Biochim. Biophys. Acta, 1757 (2006), pp. 876-885. Article. Download PDF View Record in Scopus WebFeb 1, 2016 · In this work, we use ab initio molecular dynamics coupled with metadynamics to explore and characterize the glassy potential energy landscape of the OH(-) in a 20 …
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WebFeb 17, 2016 · In this work, we use ab initio molecular dynamics coupled with metadynamics to explore and characterize the glassy potential energy landscape of the OH − in a 20 and 48 water cluster. The structural, energetic, and topological properties of OH − are characterized for both clusters and the molecular origins of the IR signatures are … WebSep 27, 2024 · The screening of an electric field in water has been studied taking into account correlations between protons, which are described by the ice rules. It is shown that the problem has two characteristic screening lengths l1 ≪ l2, which are determined by majority and minority charge carriers in water. The commonly accepted static dielectric … mark fitzsimmons new york
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WebFreiherr Christian Johann Dietrich Theodor von Grotthuss (20 January 1785 – 26 March 1822) was a Baltic German scientist known for establishing the first theory of electrolysis … WebMar 8, 2016 · The present work is concerned with the reaction of the hydroperoxyl radical with ozone, which is key in the atmosphere. We first give a brief overview which emphasizes theoretical work developed at the authors’ Group, considering not only the naked reaction ( n = 0) but also the reaction with one water molecule added to the reactants ( n = 1). WebVirginia SCC - Home mark fixes logan\u0027s microwave