Theoretical Characterization of End-On and Side-On Peroxide Coordination in Ligated Cu2O2 Models
β Scribed by Christopher J. Cramer; Armagan Kinal; Marta Wloch; Piotr Piecuch; Laura Gagliardi
- Book ID
- 101993656
- Publisher
- John Wiley and Sons
- Year
- 2007
- Weight
- 11 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0931-7597
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β¦ Synopsis
Abstract
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π SIMILAR VOLUMES
Ab initio" calculations have been performed on the systems NiN2 and Ni( PHz),N, to investigate the relative stability ofendon and side-on coordination of dinitrogen to Ni". The results indicate that both the x-back-donation and the reduction in the o repulsion are important factors in the descriptio
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