Search Results - Ferrabone, M.

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  1. 1
    On the Performance of Eleven DFT Functionals in the Description of the Vibrational Propertiesof Aluminosilicates

    On the Performance of Eleven DFT Functionals in the Description of the Vibrational Propertiesof Aluminosilicates by Demichelis, Raffaella, Civalleri, B., Ferrabone, M., Dovesi, R.

    Published 2010
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  2. 2
    Exploitation of symmetry in periodic Self-Consistent-Field ab initio calculations: application to large three-dimensional compounds

    Exploitation of symmetry in periodic Self-Consistent-Field ab initio calculations: application to large three-dimensional compounds by De La Pierre, Marco, Orlando, R., Ferrabone, M., Zicovich-Wilson, C., Dovesi, R.

    Published 2014
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  3. 3
    Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids

    Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids by D'Arco, P., Mustapha, S., Ferrabone, M., Noël, Y., De La Pierre, Marco, Dovesi, R.

    Published 2013
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  4. 4
    On the use of symmetry in configurational analysis for the simulation of disordered solids

    On the use of symmetry in configurational analysis for the simulation of disordered solids by Mustapha, S., D'Arco, P., De La Pierre, Marco, Noël, Y., Ferrabone, M., Dovesi, R.

    Published 2013
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  5. 5
    The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations

    The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations by Demichelis, Raffaella, Suto, H., Noel, Y., Sogawa, H., Naoi, T., Koike, C., Chihara, H., Shimobayashi, N., Ferrabone, M., Dovesi, R.

    Published 2012
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  6. 6
    CRYSTAL14: A program for the ab initio investigation of crystalline solids

    CRYSTAL14: A program for the ab initio investigation of crystalline solids by Dovesi, R., Orlando, R., Erba, A., Zicovich-Wilson, C., Civalleri, B., Casassa, S., Maschio, L., Ferrabone, M., De La Pierre, M, D'Arco, P., Noël, Y., Causà, M., Rérat, M., Kirtman, B.

    Published 2014
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