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Theoretical study of the reactions of ethene with diimide species

✍ Scribed by Pasto, Daniel J.; Chipman, Daniel M.

Book ID
126200796
Publisher
American Chemical Society
Year
1979
Tongue
English
Weight
800 KB
Volume
101
Category
Article
ISSN
0002-7863

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πŸ“œ SIMILAR VOLUMES

Theoretical study of ethene hydrogenatio
Theoretical study of ethene hydrogenation reaction on Ir4 tetrahedral cluster
✍ Roman V. Tsyshevsky; Guzel G. Garifzianova; Ilia V. Aristov; Alexander G. Shamov πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 432 KB

## Abstract Hydrogenation reaction of ethene on free Ir~4~ cluster was theoretically investigated using DFT B3LYP level of theory with LanL2Dz basis set. It was found that hydrogen molecule adsorption proceeded without an apparent transition state structure and the adsorption energy was predicted t