Systematic assessment on aqueous pKa and pKb of an amino acid base on RISM-SCF-SEDD method: Toward first principles calculations
Article first published online: 25 JUL 2011
Copyright © 2011 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Proceedings of the International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology
Volume 112, Issue 1, pages 103–112, January 2012
How to Cite
Kido, K., Sato, H. and Sakaki, S. (2012), Systematic assessment on aqueous pKa and pKb of an amino acid base on RISM-SCF-SEDD method: Toward first principles calculations. Int. J. Quantum Chem., 112: 103–112. doi: 10.1002/qua.23193
- Issue published online: 3 NOV 2011
- Article first published online: 25 JUL 2011
- Manuscript Accepted: 26 MAY 2011
- Manuscript Received: 27 APR 2011
- Ministry of Education, Culture, Sports, Science and Technology (MEXT) Japan. Grant Numbers: 452-20031014 (Ionic Liquids), 2006-21107511 (Molecular Science of Fluctuations), 20550013
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