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Insights into the dynamics of evaporation and proton migration in protonated water clusters from Large-scale Born–Oppenheimer direct dynamics
Article first published online: 29 OCT 2012
Copyright © 2012 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 7, pages 533–544, 15 March 2013
How to Cite
Rybkin, V. V., Simakov, A. O., Bakken, V., Reine, S., Kjærgaard, T., Helgaker, T. and Uggerud, E. (2013), Insights into the dynamics of evaporation and proton migration in protonated water clusters from Large-scale Born–Oppenheimer direct dynamics. J. Comput. Chem., 34: 533–544. doi: 10.1002/jcc.23162
- Issue published online: 11 FEB 2013
- Article first published online: 29 OCT 2012
- Manuscript Accepted: 28 SEP 2012
- Manuscript Revised: 24 SEP 2012
- Manuscript Received: 19 JUL 2012
- Norwegian Research Council (Centre of Excellence Grant, Norwegian Supercomputing Program). Grant Number: 179568/V30
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