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DFT and electrochemical studies on nortriptyline oxidation sites

โœ Scribed by Renata A. de Toledo; Mauro C. Santos; Hugo B. Suffredini; Paula Homem-de-Mello; Kathia M. Honorio; Luiz H. Mazo

Publisher
Springer-Verlag
Year
2009
Tongue
English
Weight
268 KB
Volume
15
Category
Article
ISSN
1610-2940

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โœ Ivan I. Zakharov; Vladimir A. Zakharov; Alexandr G. Potapov; Georgii M. Zhidomir ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 145 KB ๐Ÿ‘ 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