First Principles Molecular Dynamics Study of Ziegler−Natta Heterogeneous Catalysis

• Mauro Boero

  Contribution from the Max Planck Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany, and Joint Research Center for Atom Technology (JRCAT), National Institute for Advanced Interdisciplinary Research (NAIR), 1-1-4 Higashi, Tsukuba, Ibaraki 305, Japan

• Michele Parrinello

  Contribution from the Max Planck Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany, and Joint Research Center for Atom Technology (JRCAT), National Institute for Advanced Interdisciplinary Research (NAIR), 1-1-4 Higashi, Tsukuba, Ibaraki 305, Japan

• Kiyoyuki Terakura

  Contribution from the Max Planck Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany, and Joint Research Center for Atom Technology (JRCAT), National Institute for Advanced Interdisciplinary Research (NAIR), 1-1-4 Higashi, Tsukuba, Ibaraki 305, Japan

収録刊行物

• Journal of the American Chemical Society

  Journal of the American Chemical Society 120 (12), 2746-2752, 1998-03-17

  American Chemical Society (ACS)

キーワード

• Colloid and Surface Chemistry
• Biochemistry
• General Chemistry
• Catalysis

詳細情報

• CRID: 1360011145009960064
• NII論文ID: 30011164199
• NII書誌ID: AA00692602
• DOI: 10.1021/ja972367i
• ISSN: 15205126
• ISSN: 00027863
• Web Site: https://pubs.acs.org/doi/pdf/10.1021/ja972367i
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  • CiNii Articles