Search Results - "All-electron gaussian basis sets"

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  1. 1
    Quantum-mechanical ab initio simulation of the Raman and IR spectra of Mn3Al2Si3O12 spessartine

    Quantum-mechanical ab initio simulation of the Raman and IR spectra of Mn3Al2Si3O12 spessartine by Valenzano, L., Meyer, A., Demichelis, Raffaella, Civalleri, B., Dovesi, R.

    Published 2009
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  2. 2
    The IR vibrational properties of six members of the garnet family: A quantum mechanical ab initio study

    The IR vibrational properties of six members of the garnet family: A quantum mechanical ab initio study by Dovesi, R., De La Pierre, Marco, Ferrari, A., Pascale, F., Maschio, L., Zicovich-Wilson, C.

    Published 2011
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  3. 3
    The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation

    The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation by De La Pierre, Marco, Noël, Y., Mustapha, S., Meyer, A., D'Arco, P., Dovesi, R.

    Published 2013
    Subjects: “…all electron gaussian basis sets…”
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