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Matches in SemOpenAlex for { <https://semopenalex.org/work/W1999418259> ?p ?o ?g. }

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• W1999418259 abstract "The 59Co nuclear shielding constants of five hexacoordinated diamagnetic cobalt(III) complexes have been calculated using a semiempirical molecular orbital method within the framework of the finite perturbation theory, the FPT-CNDO/ 2 method. Experimental and calculated chemical shifts referenced to the cobalticyanide anion gave good agreement. The difference between the calculated and the experimental chemical shifts is attributed to the underestimation of the radial factor. The origin of the shielding on the cobalt nucleus is discussed in terms of the 3d orbital population. The shielding anisotropy in the compounds with low symmetry is also surveyed." @default.
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• W1999418259 date "1995-01-01" @default.
• W1999418259 modified "2023-10-12" @default.
• W1999418259 title "FPT-CNDO/2 studies of 59Co chemical shielding constants in hexacoordinated diamagnetic Co(III) complexes" @default.
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• W1999418259 doi "https://doi.org/10.1016/0166-1280(94)03782-g" @default.
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