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  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  
     
   
   
   
   
     

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