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Steam Reforming on Transition-Metal Carbides from Density-Functional Theory

✍ Scribed by Aleksandra Vojvodic

Book ID
113063154
Publisher
Springer US
Year
2012
Tongue
English
Weight
835 KB
Volume
142
Category
Article
ISSN
1011-372X

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πŸ“œ SIMILAR VOLUMES

Vibrational corrections to geometries of
Vibrational corrections to geometries of transition metal complexes from density functional theory
✍ Mark P. Waller; Michael BΓΌhl πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 143 KB

## Abstract Zero‐point vibrational corrections are computed at the BP86/AE1 level for the set of 50 transition‐metal/ligand bonds that have recently been proposed as testing ground for DFT methods, because of the availability of precise experimental gas‐phase geometries (BΓΌhl and Kabrede, J Chem Th