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- W2061693492 abstract "STO-3G minimal basis sets for first- and second-row transition metals have been formulated and applied to the calculation of equilibrium geometries for a variety of inorganic systems, metal carbonyls, and organometallic compounds. While the overall level of agreement with experiment is not as good as that previously noted for main-group compounds, most trends and many subtle features in geometries are reproduced." @default.
- W2061693492 created "2016-06-24" @default.
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- W2061693492 date "1983-01-01" @default.
- W2061693492 modified "2023-10-13" @default.
- W2061693492 title "Molecular orbital theory of the properties of inorganic and organometallic compounds. 3.STO-3G basis sets for first- and second-row transition metals" @default.
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- W2061693492 doi "https://doi.org/10.1002/jcc.540040215" @default.
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