Site-specific Xe additions into Cu–ZSM-5 zeolite†
Abstract
Large-scale density functional theory (DFT) calculations found significant preferences of two-coordinated
* Corresponding authors
a
Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan
E-mail:
yumura@chem.kit.ac.jp
b Department of Fundamental Material Science, Division of Molecular and Material Science, Graduate School of Natural Science and Technology, Okayama University, Tsushima, Kita-ku, Okayama 700-8530, Japan
Large-scale density functional theory (DFT) calculations found significant preferences of two-coordinated
T. Yumura, H. Yamashita, H. Torigoe, H. Kobayashi and Y. Kuroda, Phys. Chem. Chem. Phys., 2010, 12, 2392 DOI: 10.1039/B919032E
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