First principles calculations of pKa values of amines in aqueous solution: Application to neurotransmitters
Version of Record online: 28 MAR 2012
Copyright © 2012 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Mexican Theoretical Physical Chemistry Meetings
Volume 112, Issue 21, pages 3449–3460, 5 November 2012
How to Cite
Rebollar-Zepeda, A. M. and Galano, A. (2012), First principles calculations of pKa values of amines in aqueous solution: Application to neurotransmitters. Int. J. Quantum Chem., 112: 3449–3460. doi: 10.1002/qua.24048
- Issue online: 18 SEP 2012
- Version of Record online: 28 MAR 2012
- Manuscript Accepted: 24 JAN 2012
- Manuscript Revised: 18 JAN 2012
- Manuscript Received: 26 DEC 2011
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