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