Computational Organometallic Chemistry

1. DFT Studies on Zirconium-Mediated Reactions
Yuxue Li

2. Computational Organometallic Chemistry with Force Fields
Jing Huang, Michael Devereux, Franziska Hofmann, Markus Meuwly

3. New Insights into the Molecular Mechanism of H2 Activation
Guixiang Zeng, Yong Guo, Shuhua Li

4. Transition Metal-Catalyzed Hydrogenations
Aaron Forbes, Vincenzo Verdolino, Paul Helquist, Olaf Wiest

5. Mechanistic Insights into Selective Oxidation of Light Alkanes by Transition Metal Compounds/Complexes
Gang Fu, Xin Xu

6. Computational Studies on Osmium-Catalyzed Olefin Oxidation Reactions
Dominik Munz, Alexander Poethig, Thomas Strassner

7. Reactivity of Metal Carbene Clusters Pt
n
CH
2
+
and PtMCH
2
+
(M = Cu, Ag, Au, Pt, Rh) Toward O2 and NH3: A Computational Study
Zexing Cao

8. Cobalt-Catalyzed Hydroformylation and Cobalt Carbonyl Clusters: Recent Computational Studies
Chunfang Huo, Matthias Beller, Haijun Jiao

Avainsanat: Chemistry, Organometallic Chemistry, Theoretical and Computational Chemistry, Computer Applications in Chemistry