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    STUDIA CHEMIA - Issue no. 2 / 2008  
         
  Article:   UNSATURATION IN BINUCLEAR FIRST ROW CYCLOPENTADIENYLMETAL CARBONYLS AS STUDIED BY DENSITY FUNCTIONAL THEORY.

Authors:  R. BRUCE KING, HENRY F. SCHAEFER, YAOMING XIE, QIAN SHU LI, XIUHUI ZHANG, HONGYAN WANG.
 
       
         
  Abstract:   The geometries of binuclear cyclopentadienylmetal carbonyls Cp2M2(CO)n as well as related metal nitrosyl and cyclobutadienemetal derivatives have been optimized by using B3LYP and BP86 methods from density functional theory. New examples of metal-metal multiple bonding and four-electron donor carbonyl groups have been found in unsaturated molecules of this type.  
         
     
         
         
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