Search Results - Ugliengo, P.

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  1. 1
    Ab Initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites

    Ab Initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites by Civalleri, B., Torres, F., Demichelis, Raffaella, Terentyev, A., Ugliengo, P.

    Published 2008
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  2. 2
    Physico-chemical features of aluminum hydroxides as modeled with 2 the hybrid B3LYP functional and localized basis functions

    Physico-chemical features of aluminum hydroxides as modeled with 2 the hybrid B3LYP functional and localized basis functions by Demichelis, Raffaella, Noel, Y., Ugliengo, P., Zicovich-Wilson, C., Dovesi, R.

    Published 2011
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  3. 3
    Ab initio quantum mechanical study of [gamma]-AlOOH Boehmite: structure and vibrational spectrum

    Ab initio quantum mechanical study of [gamma]-AlOOH Boehmite: structure and vibrational spectrum by Noel, Y., Demichelis, Raffaella, Pascale, F., Ugliengo, P., Orlando, R., Dovesi, R.

    Published 2009
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  4. 4
    Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0 and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg2SiO4

    Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0 and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterit... by De La Pierre, Marco, Orlando, R., Maschio, L., Doll, K., Ugliengo, P., Dovesi, R.

    Published 2011
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