Proton Defect Solvation and Dynamics in Aqueous Acid and Base

Seyit Kale; Judith Herzfeld

doi:10.1002/anie.201203568

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Proton Defect Solvation and Dynamics in Aqueous Acid and Base

Journal article

Peer reviewed

Proton Defect Solvation and Dynamics in Aqueous Acid and Base

Seyit Kale and Judith Herzfeld

Angewandte Chemie (International ed.), Vol.51(44), pp.11029-11032

10/04/2012

DOI: https://doi.org/10.1002/anie.201203568

PMCID: PMC3488342

PMID: 23037880

Abstract

hydronium

diffusion

proton transport

water chemistry

hydroxide

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).

UN Sustainable Development Goals (SDGs)

This output has contributed to the advancement of the following goals:

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Title: Proton Defect Solvation and Dynamics in Aqueous Acid and Base
Creators: Seyit Kale - Graduate Program in Biophysics and Structural Biology, Brandeis University, MS 009, 415 South Street Waltham MA (USA)
Judith Herzfeld - Department of Chemistry, Brandeis University, MS 015, 415 South Street Waltham MA (USA)
Publication Details: Angewandte Chemie (International ed.), Vol.51(44), pp.11029-11032
Identifiers: 9923973088901921
Academic Unit: Department of Chemistry
Language: English
Resource Type: Journal article

Proton Defect Solvation and Dynamics in Aqueous Acid and Base

Abstract

UN Sustainable Development Goals (SDGs)

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