Cover Picture: Mechanistic Studies on the Transformation of Ethanol into Ethene over Fe-ZSM-5 Zeolite (ChemPhysChem 1/2013)

Authors

  • Thana Maihom,

    1. Laboratory for Computational and Applied Chemistry, Department of Chemistry, Faculty of Science and Center of Nanotechnology, Kasetsart University Research and Development Institute, Kasetsart University, Bangkok 10900 (Thailand)
    2. NANOTEC Center for Nanoscale Materials Design for Green Nanotechnology, Kasetsart University, Bangkok 10900 (Thailand)
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  • Dr. Pipat Khongpracha,

    1. Laboratory for Computational and Applied Chemistry, Department of Chemistry, Faculty of Science and Center of Nanotechnology, Kasetsart University Research and Development Institute, Kasetsart University, Bangkok 10900 (Thailand)
    2. NANOTEC Center for Nanoscale Materials Design for Green Nanotechnology, Kasetsart University, Bangkok 10900 (Thailand)
    3. Center for Advanced Studies in Nanotechnology and its Applications in Chemical, Food, and Agricultural Industries, Kasetsart University ,Bangkok 10900 (Thailand)
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  • Dr. Jakkapan Sirijaraensre,

    1. Laboratory for Computational and Applied Chemistry, Department of Chemistry, Faculty of Science and Center of Nanotechnology, Kasetsart University Research and Development Institute, Kasetsart University, Bangkok 10900 (Thailand)
    2. NANOTEC Center for Nanoscale Materials Design for Green Nanotechnology, Kasetsart University, Bangkok 10900 (Thailand)
    3. Center for Advanced Studies in Nanotechnology and its Applications in Chemical, Food, and Agricultural Industries, Kasetsart University ,Bangkok 10900 (Thailand)
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  • Prof. Dr. Jumras Limtrakul

    Corresponding author
    1. Laboratory for Computational and Applied Chemistry, Department of Chemistry, Faculty of Science and Center of Nanotechnology, Kasetsart University Research and Development Institute, Kasetsart University, Bangkok 10900 (Thailand)
    2. NANOTEC Center for Nanoscale Materials Design for Green Nanotechnology, Kasetsart University, Bangkok 10900 (Thailand)
    3. Center for Advanced Studies in Nanotechnology and its Applications in Chemical, Food, and Agricultural Industries, Kasetsart University ,Bangkok 10900 (Thailand)
    • Laboratory for Computational and Applied Chemistry, Department of Chemistry, Faculty of Science and Center of Nanotechnology, Kasetsart University Research and Development Institute, Kasetsart University, Bangkok 10900 (Thailand)
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Abstract

original image

Computational chemistry can be used to unlock the door to mechanisms of industrially important reactions. On p. 101 the reaction mechanisms of transformation of ethanol over zeolite serving as a nanometer-sized chemical reactor are unraveled by J. Limtrakul et al. using an advanced DFT approach.

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