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- W2034128849 abstract "Abstract Carbonyl complexes of Cr-containing one- or two-coordinated H 2 molecules have been investigated by means of ab initio electronic structure calculations. Relative energy differences for various isomers of Cr(CO) 5 (H 2 ) and Cr(CO) 4 (H 2 ) 2 complexes have been computed. Possible reaction paths for the H 2 /D 2 intramolecular isotope exchange in the dihydrogen complex are discussed." @default.
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- W2034128849 date "1989-11-01" @default.
- W2034128849 modified "2023-09-25" @default.
- W2034128849 title "Coordination of dihydrogen to transition metal complexes: ab initio investigation of Cr(CO)5(H2) and Cr(CO)4(H2)2" @default.
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- W2034128849 doi "https://doi.org/10.1016/0022-328x(89)80066-x" @default.
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