Comments on the molecular geometry of ferrocene: The dangers of using quantum chemistry programs as black boxes
Version of Record online: 8 SEP 2008
Copyright © 2008 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 30, Issue 6, pages 881–883, 30 April 2009
How to Cite
Martin, J., Baker, J. and Pulay, P. (2009), Comments on the molecular geometry of ferrocene: The dangers of using quantum chemistry programs as black boxes. J. Comput. Chem., 30: 881–883. doi: 10.1002/jcc.21106
- Issue online: 11 MAR 2009
- Version of Record online: 8 SEP 2008
- Manuscript Accepted: 18 JUL 2008
- Manuscript Revised: 29 JUN 2008
- Manuscript Received: 28 MAR 2008
- U.S. National Science Foundation. Grant Number: CHE-0515922
- Mildred B. Cooper Chair, University of Arkansas
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