CAREER NETWORK World's one of the largest Research Career Network Benefits Academic & Industry jobs Project funding Visiting faculty positions Visiting scientist positions Invited talks and more... Register FREE Global Journal of Inorganic Chemistry. Volume 2, Issue 4 (2011) pp. 286-303 Review Article Computational aspects of carbon dioxide coordination to transition metals Tamás Kégl Department of Inoraganic Chemistry, University of Pecs, H-7624 Pecs, P. O. Box 266, Hungary Abstract Carbon dioxide is the largest source of greenhouse gas, and utilization of CO2 as a C1 building block for various syntheses is an attractive alternative to reactions presently using fossil sources. Transition metal compounds coordinating and activating CO2 in order to convert it into useful products are therefore of high importance. This minireview covers some selected results about the theoretical coordination chemistry of carbon dioxide as well as homogeneous catalytic reactions converting CO2, investigated with computational methods. Keywords Carbon dioxide; Activation; Coordination; Ab initio calculations; Density functional methods; Reaction mechanisms