Adsorption and dehydration of ethanol on isomorphously B, Al, and Ga substituted H-ZSM-5 zeolite: an embedded ONIOM study

被引：0
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作者：
Nattida Maeboonruan
Bundet Boekfa
Thana Maihom
Piti Treesukol
Kanokwan Kongpatpanich
Supawadee Namuangruk
Michael Probst
Jumras Limtrakul
机构：
[1] Kasetsart University Kamphaeng Saen Campus,Department of Chemistry, Faculty of Liberal Arts and Science
[2] Kasetsart University Institute for Advanced Studies,Center for Advanced Studies in Nanotechnology for Chemical, Food and Agricultural Industries
[3] Kasetsart University,School of Molecular Science and Engineering
[4] Vidyasirimedhi Institute of Science and Technology (VISTEC),National Nanotechnology Center (NANOTEC)
[5] National Science and Technology Development Agency,Institute of Ion Physics and Applied Physics
[6] University of Innsbruck,undefined
来源：
Journal of Molecular Modeling | 2021年 / 27卷
关键词：
Heterogeneous catalysis; Ethanol; Ethylene; Dehydration; Isomorphously substituted zeolite; Embedded ONIOM calculations;
D O I：
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摘要：
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