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The effect of the bulk property of the substrate on the hydrogen molecule chemisorption is investigated in terms of the Hubbard model within Hubbard's second approximation. The binding energy and the bond order are calculated. It is found that a hydrogen molecule is more likely to chemisorb dissociatively on a transition-metal-like substrate than on a simple-metal-like substrate.
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Okiji et al. (1982) studied this question.
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