Open AccessQuantum Chemical Prediction of pKa Values of Cationic Ion-Exchange Groups in Polymer Electrolyte Membranes
Author(s) -
Vincent de Paul N. Nziko,
JiunLe Shih,
Santa JansonePopova,
Vyacheslav S. Bryantsev
Publication year - 2018
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.7b09828
Subject(s) - chemistry , solvation , nucleophile , density functional theory , electrolyte , hydroxide , aqueous solution , base (topology) , cationic polymerization , ion exchange , computational chemistry , implicit solvation , ion , inorganic chemistry , organic chemistry , catalysis , mathematical analysis , mathematics , electrode
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