Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?
Article first published online: 5 FEB 2013
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 13, pages 1125–1135, 15 May 2013
How to Cite
Hage, K. E., Piquemal, J.-P., Hobaika, Z., Maroun, R. G. and Gresh, N. (2013), Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?. J. Comput. Chem., 34: 1125–1135. doi: 10.1002/jcc.23242
- Issue published online: 9 APR 2013
- Article first published online: 5 FEB 2013
- Manuscript Accepted: 12 JAN 2013
- Manuscript Revised: 28 DEC 2012
- Manuscript Received: 14 NOV 2012
- GENCI (CINES/IDRIS). Grant Number: 2009-075009
- Centre de Ressources Informatiques de Haute Normandie (CRIHAN, Rouen, France). Grant Number: 1998053
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