Search Results - Erba, A.

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  1. 1
    Assessing Thermochemical Properties of Materials through Ab initio Quantum-mechanical Methods: The Case of α-Al2O3

    Assessing Thermochemical Properties of Materials through Ab initio Quantum-mechanical Methods: The Case of α-Al2O3 by Erba, A., Maul, J., Demichelis, Raffaella, Dovesi, R.

    Published 2015
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  2. 2
    Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg2SiO4 forsterite

    Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg2SiO4 forsterite by Erba, A., Maul, J., De La Pierre, Marco, Dovesi, R.

    Published 2015
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  3. 3
    On the full exploitation of symmetry in periodic (as well as molecular) self-consistentfield ab initio calculations

    On the full exploitation of symmetry in periodic (as well as molecular) self-consistentfield ab initio calculations by Orlando, R., De La Pierre, M, Zicovich-Wilson, C., Erba, A., Dovesi, R.

    Published 2014
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  4. 4
    The vibrational spectrum of CaCO3 aragonite: A combined experimental and quantum-mechanical investigation

    The vibrational spectrum of CaCO3 aragonite: A combined experimental and quantum-mechanical investigation by Carteret, C., De La Pierre, Marco, Dossot, M., Pascale, F., Erba, A., Dovesi, R.

    Published 2013
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  5. 5
    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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