Pantazis, D., McGrady, J., Maseras, F. and Etienne, M. (2007) Critical role of the correlation functional in DFT descriptions of an agostic niobium complex. Journal of Chemical Theory and Computation, 3, pp. 1329-1336. (doi: 10.1021/ct700043w)
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| Item Type: | Articles |
|---|---|
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | McGrady, Prof John |
| Authors: | Pantazis, D., McGrady, J., Maseras, F., and Etienne, M. |
| College/School: | College of Science and Engineering > School of Chemistry |
| Journal Name: | Journal of Chemical Theory and Computation |
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