Structure-Dependence of the magnetic moment in small palladium clusters: Surprising results from the M06-L Meta-GGA functional
Article first published online: 11 JUL 2011
Copyright © 2011 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Proceedings of the International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology
Volume 112, Issue 1, pages 113–120, January 2012
How to Cite
Koitz, R., Soini, T. M., Genest, A., Trickey, S. B. and Rösch, N. (2012), Structure-Dependence of the magnetic moment in small palladium clusters: Surprising results from the M06-L Meta-GGA functional. Int. J. Quantum Chem., 112: 113–120. doi: 10.1002/qua.23168
- Issue published online: 3 NOV 2011
- Article first published online: 11 JUL 2011
- Manuscript Accepted: 5 MAY 2011
- Manuscript Received: 27 APR 2011
- U.S. Department of Energy. Grant Number: DE-SC-0002139
- International Graduate School of Science and Engineering (IGSSE)
- European Graduate School of Sustainable Energy Technologies
- Fonds der Chemischen Industrie (Germany)
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