Search Results - "B3LYP"

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  1. 1
    A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies

    A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies by Jalkanen, Karl, Gale, Julian

    Published 2007
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  2. 2
    Trans-1,2-Dicyano-cyclopropane and Other Cyano-cyclopropane Derivatives : a theoretical and experimental VA, VCD, Raman and ROA spectroscopic study.

    Trans-1,2-Dicyano-cyclopropane and Other Cyano-cyclopropane Derivatives : a theoretical and experimental VA, VCD, Raman and ROA spectroscopic study. by Jalkanen, Karl, Gale, Julian, Jalkanen, G., McIntosh, D., El-Azhary, A., Jensen, G.

    Published 2007
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  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
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  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
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