On the Performance of Eleven DFT Functionals in the Description of the Vibrational Propertiesof Aluminosilicates

Demichelis, Raffaella; Civalleri, B.; Ferrabone, M.; Dovesi, R.

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Authors

Demichelis, Raffaella

Civalleri, B.

Ferrabone, M.

Dovesi, R.

Date

2010

Type

Journal Article

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Citation

Demichelis, R. and Civalleri, B. and Ferrabone, M. and Dovesi, R. 2010. On the Performance of Eleven DFT Functionals in the Description of the Vibrational Propertiesof Aluminosilicates. International Journal of Quantum Chemistry. 110: pp. 406-415.

Source Title

International Journal of Quantum Chemistry