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• W2079555900 abstract "The minimal cluster models Ni-L (L = CN, CO, NO) have been employed to study the L/Ni chemisorption systems. Emphasis is on the effects of the choice of basis set. With the metallic Slater basis function ξm, which is a modification of the atomic Slater basis function ξa based on the free electron theory in solid state physics, the results of Ni-L cluster calculations agree well with the UV photoelectron spectroscopy data of L/Ni chemisorption systems. By means of Mulliken population analysis, the interactions between L and Ni are investigated." @default.
• W2079555900 created "2016-06-24" @default.
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• W2079555900 date "1993-04-01" @default.
• W2079555900 modified "2023-09-23" @default.
• W2079555900 title "Studies on cluster-surface analogy: cluster model calculations for L/Ni (L = CN, CO, NO) chemisorption systems" @default.
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• W2079555900 doi "https://doi.org/10.1016/0166-1280(93)80002-h" @default.
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