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First-Principles-Based Multiscale Modelling of Nonoxidative Butane Dehydrogenation on Cr(2)O(3)(0001)

[Image: see text] Propane (C(3)H(8)) and butane (C(4)H(10)) are short straight-chain alkane molecules that are difficult to convert catalytically. Analogous to propane, butane can be dehydrogenated to butenes (also known as butylenes) or butadiene, which are used industrially as raw materials when s...

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Detalhes bibliográficos
Publicado no:ACS Catal
Main Authors: Kopač, Drejc, Jurković, Damjan Lašič, Likozar, Blaž, Huš, Matej
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2020
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7754517/
https://ncbi.nlm.nih.gov/pubmed/33362945
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscatal.0c03197
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