𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Relativistic Effects on Bonding in Cationic Transition-Metal-Carbene Complexes: A Density-Functional Study

✍ Scribed by Heinemann, Christoph; Hertwig, Roland H.; Wesendrup, Ralf; Koch, Wolfram; Schwarz, Helmut


Book ID
126812521
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
862 KB
Volume
117
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


The performance of density functional/Ha
✍ Max C. Holthausen; Matthias Mohr; Wolfram Koch 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 640 KB

Density functional theory/Hartree-Fock hybrid methods have been applied to the cationic methylene complexes MCH~of the first-row transition metals (M = Sc-Cu). A comparison of the computed results with earlier high-level ab initio MO calculations and experimental data is presented in order to assess