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- W1508049043 abstract "An angular overlap calculation has been used to determine the s, p, and d orbital energy levels of the different types of surface sites present on dispersed metal catalysts. These data can permit a Frontier Molecular Orbital treatment of specific site activities as long as the surface orbital availability for overlap with adsorbed substrates is considered along with its energy value and symmetry." @default.
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- W1508049043 date "1993-01-01" @default.
- W1508049043 modified "2023-09-27" @default.
- W1508049043 title "The Calculation of Surface Orbital Energies for Specific Types of Active Sites on Dispersed Metal Catalysts" @default.
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- W1508049043 doi "https://doi.org/10.1016/s0167-2991(08)64481-x" @default.
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