Search Results - Frimand, K

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  1. 1
    Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study

    Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study by Frimand, K., Bohr, H., Jalkanen, K.J., Suhai, S.

    Published in Chemical physics
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  2. 2
    Use of vibrational spectroscopy to study protein and DNA structure, hydration, and binding of biomolecules: A combined theoretical and experimental approach

    Use of vibrational spectroscopy to study protein and DNA structure, hydration, and binding of biomolecules: A combined theoretical and experimental approach by Jalkanen, K. J., Würtz Jürgensen, V., Claussen, A., Rahim, A., Jensen, G. M., Wade, R. C., Nardi, F., Jung, C., Degtyarenko, I. M., Nieminen, R. M., Herrmann, F., Knapp-Mohammady, M., Niehaus, T. A., Frimand, K., Suhai, S.

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  3. 3
    A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of l-alanine

    A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of l-alanine by Jalkanen, K.J, Nieminen, R.M, Frimand, K, Bohr, J, Bohr, H, Wade, R.C, Tajkhorshid, E, Suhai, S

    Published in Chemical physics
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  4. 4
    Protein distance constraints predicted by neural networks and probability density functions

    Protein distance constraints predicted by neural networks and probability density functions by Lund, O, Frimand, K, Gorodkin, J, Bohr, H, Bohr, J, Hansen, J, Brunak, S

    Published in Protein engineering
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  5. 5
    A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in predicting the vibrational spectra of N-acetyl-L-alanine-N'-methyl amide: VA and VCD spectra

    A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in predicting the vibrational spectra of N-acetyl-L-alanine-N'-methyl amide: VA and VCD spectra by Bohr, H.G., Jalkanen, K.J., Elstner, M., Frimand, K., Suhai, S.

    Published in Chemical physics
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  6. 6
    SCC-TB, DFT/B3LYP, MP2, AM1, PM3 and RHF study of ethylene oxide and propylene oxide structures, VA and VCD spectra

    SCC-TB, DFT/B3LYP, MP2, AM1, PM3 and RHF study of ethylene oxide and propylene oxide structures, VA and VCD spectra by Frimand, Kenneth, Jalkanen, Karl J.

    Published in Chemical physics
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  7. 7
    Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N'-methyl amide conformational states

    Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N'-methyl amide conformational states by Bohr, H G, Frimand, K, Jalkanen, K J, Nieminen, R M, Suhai, S

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