DFT Studies on Zirconium-Mediated Reactions.-
Computational Organometallic Chemistry with Force Fields.-
New insights onto the molecular mechanism of H2 activation.-
Transition Metal-Catalyzed Hydrogenations.-
Mechanistic insights into selective oxidation of light alkanes by transition metal compounds/complexes.-
Computational Studies on Osmium Catalyzed Olefin Oxidation Reactions.-
Reactivity of Metal Carbene Clusters PtnCH2
+
and PtMCH2
+
(M=Cu, Ag, Au, Pt, Rh) toward O2 and NH3: A Computational Study.-
Cobalt Catalyzed Hydroformylation and Cobalt Carbonyl Clusters: Recent Computational Studies.
