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- W2013393375 abstract "Ab initio calculations have been carried out on the first- and second-row transition-metal mono- and dicarbonyl positive ions. The bonding in these systems is discussed in detail. Trends in the series of mono- and dicarbonyl ions and between the first- and second-row transition metals are explained in terms of a dominantly electrostatic bonding interaction and differences in metal ion state separations, ionization potentials, and s and d orbital sizes. Dissociation energies are presented and a detailed comparison is made with experimental data. Where reliable experimental data exists, agreement with the theoretical results is generally good." @default.
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- W2013393375 date "1990-07-01" @default.
- W2013393375 modified "2023-09-26" @default.
- W2013393375 title "Theoretical studies of the first‐ and second‐row transition‐metal mono‐ and dicarbonyl positive ions" @default.
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- W2013393375 doi "https://doi.org/10.1063/1.459508" @default.
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