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Transition metals compounds: Outstanding challenges for multiconfigurational methods by K. Pierloot is a Physics and Astronomy article available to read on EtoBox.
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## Abstract The present contribution provides a “perspective” on the work on transition metal (TM) bonding and spectroscopy by Björn O. Roos, performed by means of the CASPT2 method in the period 1992–2010. After giving a short overview of important nondynamic correlation effects appearing in TM atoms and molecules, ample attention is given to the work on the Cr~2~ molecule and to Björn's fascination for multiple bonds in inorganic molecules containing TM. A short description is also given of his contributions to bioinorganic chemistry, with emphasis on the blue copper proteins. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem 111:3291–3301, 2011
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- Author
- K. Pierloot
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0020-7608)
- Published
- 2011
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)