An ab initio molecular orbital study of intramolecular hydrogen bonding in ortho-substituted arylamides: Implications for the parameterization of molecular mechanics force fields
Article first published online: 1 APR 2011
Copyright © 2011 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 32, Issue 9, pages 1846–1858, 15 July 2011
How to Cite
Liu, Z., Teslja, A. and Pophristic, V. (2011), An ab initio molecular orbital study of intramolecular hydrogen bonding in ortho-substituted arylamides: Implications for the parameterization of molecular mechanics force fields. J. Comput. Chem., 32: 1846–1858. doi: 10.1002/jcc.21767
- Issue published online: 25 APR 2011
- Article first published online: 1 APR 2011
- Manuscript Accepted: 16 JAN 2011
- Manuscript Revised: 30 NOV 2010
- Manuscript Received: 17 JUL 2010
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