𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Geometries of Transition-Metal Complexes from Density-Functional Theory

✍ Scribed by Bühl, Michael; Kabrede, Hendrik


Book ID
120070995
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
105 KB
Volume
2
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Vibrational corrections to geometries of
✍ Mark P. Waller; Michael Bühl 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 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 (Bühl and Kabrede, J Chem Th