Density functional theory-based electrochemical models for the oxygen reduction reaction: Comparison of modeling approaches for electric field and solvent effects
Article first published online: 7 SEP 2011
Copyright © 2011 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 32, Issue 16, pages 3399–3408, December 2011
How to Cite
Yeh, K.-Y. and Janik, M. J. (2011), Density functional theory-based electrochemical models for the oxygen reduction reaction: Comparison of modeling approaches for electric field and solvent effects. J. Comput. Chem., 32: 3399–3408. doi: 10.1002/jcc.21919
- Issue published online: 14 OCT 2011
- Article first published online: 7 SEP 2011
- Manuscript Accepted: 25 JUL 2011
- Manuscript Revised: 20 JUN 2011
- Manuscript Received: 22 DEC 2010
- National Science Foundation. Grant Number: CBET-0730502
- National Science Council. Grant Number: NSC-095-SAF-I-564-022-TMS
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