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- W2071208039 abstract "A procedure for the derivation of an optimized relativistic Pseudopotential for Pt is described and the results of MO calculations on simple molecules are given. The atomic properties of Pt are correctly reproduced by the Pseudopotential. The Pt-H and Pt-C bonding are reasonably well described. A comparison is made with more sophisticated MO methods." @default.
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- W2071208039 date "1986-09-01" @default.
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- W2071208039 title "Molecular-orbital calculations on Pt2, PtH and PtCO with an optimized relativistic pseudopotential for Pt" @default.
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- W2071208039 doi "https://doi.org/10.1016/0009-2614(86)80403-1" @default.
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