A semiempirical theoretical study of Ni/
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Marı́a Luján Ferreira; Nora N. Nichio; Osmar A. Ferretti
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Article
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2003
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Elsevier Science
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English
⚖ 437 KB
In order to investigate the nature of Ni supported on ␣-Al 2 O 3 and its modification with Sn in methane reforming reactions, a theoretical study was carried out. A molecular orbital approach of the extended Hückel type was performed to obtain the formation energies of postulated adsorbed and reacte