Car–Parrinello study of Ziegler–Natta heterogeneous catalysis: stability and destabilization problems of the active site models

Author： Boero Mauro   Parrinello Michele   Terakura Kiyoyuki   Weiss Horst  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.100, Iss.18, 2002-09, pp. : 2935-2940

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