Proton defect solvation and dynamics in aqueous acid and base.

Angew Chem Int Ed Engl

Graduate Program in Biophysics and Structural Biology, Brandeis University, MS 009, 415 South Street, Waltham, MA, USA.

Published: October 2012

Easy come, easy go: LEWIS, a new model of reactive and polarizable water that enables the simulation of a statistically reliable number of proton hopping events in aqueous acid and base at concentrations of practical interest, is used to evaluate proton transfer intermediates in aqueous acid and base (picture, left and right, respectively).

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3488342PMC
http://dx.doi.org/10.1002/anie.201203568DOI Listing

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