CNDO calculations aluminum

Balzarotti, A., F. Antonangeli, R. Girlanda, and G. Martino (1984). Electronic energy levels of aAljO, from L-edge photoabsorption of aluminum and small-cluster CNDO calculation. Phys. Rev. B29, 5903-8. 

The CNDO/2 quantum chemistry calculations suggest that acid attacks are performed at the oxygen sites which are attached to aluminum atoms of the framework. The experiments of acid extraction of Al atoms indicate that the theoretically calculation reaults are achieved in assuming the acid attack mechanism. 

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