Search Results - "IR frequencies"

  • Showing 1 - 4 results of 4
Refine Results
  1. 1
    Computer modelling of hydrogen defects in the clinopyroxenes diopside and jadeite

    Computer modelling of hydrogen defects in the clinopyroxenes diopside and jadeite by Gatzemeier, A., Wright, Kathleen

    Published 2006
    Subjects: Get full text
  2. 2
    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
    Subjects: Get full text
  3. 3
    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
    Subjects: Get full text
  4. 4
    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: Get full text

Search Tools: