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Proton defect solvation and dynamics in aqueous acid and base.

ABSTRACT: 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).

SUBMITTER: Kale S

PROVIDER: S-EPMC3488342 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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Proton defect solvation and dynamics in aqueous acid and base.

Kale Seyit S Herzfeld Judith J

Angewandte Chemie (International ed. in English) 20121004 44

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). ...[more]

PMID: 23037880

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