First principle and ReaxFF molecular dynamics investigations of formaldehyde dissociation on Fe(100) surface
Version of Record online: 26 JUN 2013
© 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 23, pages 1982–1996, 5 September 2013
How to Cite
How to cite this article: J. Comput. Chem. 2013, 34, 1982–1996. DOI: 10.1002/jcc.23320, , ,
- Issue online: 23 JUL 2013
- Version of Record online: 26 JUN 2013
- Manuscript Accepted: 7 APR 2013
- Manuscript Revised: 26 MAR 2013
- Manuscript Received: 11 DEC 2012
- Air Force Research Laboratory. Grant Number: F33615-03-2–2347
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