A reliable and efficient first principles-based method for predicting pKa values. 4. organic bases
Article first published online: 27 JUL 2012
Copyright © 2012 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 33, Issue 31, pages 2469–2482, 5 December 2012
How to Cite
Zhang, S. (2012), A reliable and efficient first principles-based method for predicting pKa values. 4. organic bases. J. Comput. Chem., 33: 2469–2482. doi: 10.1002/jcc.23068
- Issue published online: 18 OCT 2012
- Article first published online: 27 JUL 2012
- Manuscript Accepted: 25 JUN 2012
- Manuscript Revised: 19 JUN 2012
- Manuscript Received: 30 MAR 2012
- National Science Foundation. Grant Numbers: CHE-0515922, CHE-0911541, MRI-0421099
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