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Theoretical studies of organometallic complexes of uranium involving nitrogen ligands using density functional approaches

✍ Scribed by Jeffrey Hay, P.


Book ID
120009033
Publisher
Royal Society of Chemistry
Year
2003
Tongue
English
Weight
756 KB
Volume
124
Category
Article
ISSN
1359-6640

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✍ Nigel J. Brookes; David C. Graham; Gemma Christian; Robert Stranger; Brian F. Ya πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 569 KB

## Abstract Electronic structure methods have been combined with the ONIOM approach to carry out a comprehensive study of the effect of ligand bulk on the activation of dinitrogen with three‐coordinate molybdenum complexes. Calculations were performed with both density functional and CCSD(T) method