A density functional study on the pKa of small polyprotic molecules
Article first published online: 19 FEB 2014
Copyright © 2014 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: VIIIth Congress of the International Society for Theoretical Chemical Physics
Volume 114, Issue 17, pages 1128–1134, September 5, 2014
How to Cite
How to cite this article: Int. J. Quantum Chem. 2014, 114, 1128–1134. DOI: 10.1002/qua.24631, , , ,
- Issue published online: 12 JUL 2014
- Article first published online: 19 FEB 2014
- Manuscript Accepted: 22 JAN 2014
- Manuscript Revised: 14 JAN 2014
- Manuscript Received: 28 NOV 2013
- Japan Society for the Promotion of Science (JSPS). Grant Numbers: 21350011, 22685003
- MEXT (Strategic Programs for Innovative Research, SPIRE). Grant Number: A24109002a
- Computational Materials Science Initiative (CMSI), Japan
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