Oxidative addition of the ethane CC bond to Pd. An ab initio benchmark and DFT validation study
Article first published online: 6 MAY 2005
Copyright © 2005 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 26, Issue 10, pages 1006–1020, 30 July 2005
How to Cite
De Jong, G. T., Geerke, D. P., Diefenbach, A., Solà, M. and Bickelhaupt, F. M. (2005), Oxidative addition of the ethane CC bond to Pd. An ab initio benchmark and DFT validation study. J. Comput. Chem., 26: 1006–1020. doi: 10.1002/jcc.20233
- Issue published online: 6 MAY 2005
- Article first published online: 6 MAY 2005
- Manuscript Accepted: 7 MAR 2005
- Manuscript Received: 3 JAN 2005
- The Netherlands Organization for Scientific Research (NWO-CW and NWO-NCF)
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