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Proton Defect Solvation and Dynamics in Aqueous Acid and Base
Author(s) -
Kale Seyit,
Herzfeld Judith
Publication year - 2012
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201203568
Subject(s) - proton , solvation , aqueous solution , base (topology) , lewis acids and bases , chemistry , chemical physics , polarizability , computational chemistry , ion , physics , molecule , nuclear physics , organic chemistry , mathematics , catalysis , mathematical analysis
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).