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- W2007545706 abstract "CASSCF and contracted CI calculations have been performed on the Ni(C2H2) and Pd(C2H2) complexes. The lowest singlet and triplet surfaces of the nickel complex and the lowest singlet surface of the palladium complex have been investigated. Minima have been located on both of the singlet surfaces and CCI calculations have been performed at these geometries. The results are discussed in connection with experimental work on surface effects on the metals of the nickel triad, and in connection with earlier calculations on Ni(C2H4) and Pd(H2)." @default.
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- W2007545706 date "1986-02-01" @default.
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- W2007545706 title "A CASSCF and CCI study of the potential surfaces of Ni(C2H2) and Pd(C2H2)" @default.
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- W2007545706 doi "https://doi.org/10.1016/0166-1280(86)80061-6" @default.
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