A DFT quantum-chemical study on the stru
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Ivan I. Zakharov; Vladimir A. Zakharov; Alexandr G. Potapov; Georgii M. Zhidomir
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Article
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1999
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John Wiley and Sons
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English
β 145 KB
π 2 views
The electronic structure and geometry of polymethylaluminoxane (MAO) [ 1Al(CH 3 )O1 ] n with different size (n = 4 -12) have been studied using quantum-chemical DFT (density functional theory) calculations. It has been found: 1) Starting from n = 6, the three-dimensional oxo-bridged (cage) structure