Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional
Article first published online: 31 MAR 2011
Copyright © 2011 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 32, Issue 9, pages 1824–1838, 15 July 2011
How to Cite
Zhang, I. Y., Wu, J., Luo, Y. and Xu, X. (2011), Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional. J. Comput. Chem., 32: 1824–1838. doi: 10.1002/jcc.21764
- Issue published online: 25 APR 2011
- Article first published online: 31 MAR 2011
- Manuscript Received: 30 MAR 2010
- Manuscript Accepted: 11 JAN 2010
- Manuscript Revised: 4 JAN 2010
- NSFC. Grant Numbers: 10774126, 20973138, 20923004
- Ministry of Science and Technology. Grant Numbers: 2007CB815206, 2011CB808504
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