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Assessing Metal-Metal Multiple Bonds in Cr—Cr, Mo—Mo, and W—W Compounds and a Hypothetical U—U Compound: A Quantum Chemical Study Comparing DFT and Multireference Methods
G. Li Manni, A.L. Dzubak, A. Mulla, D.W. Brogden, J.F. Berry and L. Gagliardi
Chemistry - A European Journal, 18 (6) , 2012, p1737-1749
Keywords: bond theory • density functional calculations • electronic states • metal • metal interactions • quantum chemistry
DOI:10.1002/chem.201103096 | unige:18373 | Abstract | Article PDF