A large-scale ab initio configuration interaction calculation of Cr(CO)6 shows the importance of correlation effects in describing the charge distribution and in predicting the Cr–C bond strength in this molecule.
D. Moncrieff, P. C. Ford, I. H. Hillier and V. R. Saunders, J. Chem. Soc., Chem. Commun., 1983, 1108 DOI: 10.1039/C39830001108
To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.
If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.
If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.
Read more about how to correctly acknowledge RSC content.
Please wait while we load your content...