Adsorption structure and reaction path o
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Kazuo Teraishi
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Article
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1997
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Elsevier Science
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English
⚖ 845 KB
Adsorption structures of benzothiophene and 7-methylbenzothiophene on MoS, catalysts were studied by ab initio molecular orbital (Becke3LYP) method. The n-bonded parallel configuration was more favored than the perpendicular adsorption through S, and the adsorption energies of both compounds were al