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ACS Omega
(Apr 2018)
Prediction of Aqueous pKa Values for Guanidine-Containing Compounds Using Ab Initio Gas-Phase Equilibrium Bond Lengths
Beth A. Caine,
Christophe Dardonville,
Paul L. A. Popelier
Affiliations
Beth A. Caine
Manchester Institute of Biotechnology (MIB), Manchester, Great Britain
Christophe Dardonville
Instituto de Química Médica, IQM−CSIC, Madrid, Spain
Paul L. A. Popelier
Manchester Institute of Biotechnology (MIB), Manchester, Great Britain
DOI
https://doi.org/10.1021/acsomega.8b00142
Journal volume & issue
Vol. 3, no. 4
pp. 3835 – 3850
Abstract
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