Karl J. Jalkanen

  1. 2002
  2. Published

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

    In: Chemical Physics, Vol. 279, No. 2-3, 2002, p. 161-178.

    Publication: Research - peer-reviewJournal article – Annual report year: 2002

  3. Published

    The VA and VCD spectra of various isotopomers of L-alanine in aqueous solution. / Abdali, Salim; Jalkanen, Karl J.; Bohr, Henrik; Suhai, S.; Nieminen, R.M.

    In: Chemical Physics, Vol. 282, No. 2, 2002, p. 219-235.

    Publication: Research - peer-reviewJournal article – Annual report year: 2002

  4. 2001
  5. Published

    A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of L-alanine. / Jalkanen, Karl J.; Nieminen, R.M.; Frimand, Kenneth; Bohr, Jakob; Bohr, Henrik; Wade, R.C.; Tajkhorshid, E.; Suhai, S.

    In: Chemical Physics, Vol. 265, No. 2, 2001, p. 125-151.

    Publication: Research - peer-reviewJournal article – Annual report year: 2001

  6. 2000
  7. Published
  8. 1999
  9. Published

    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. / Bohr, Henrik; Jalkanen, Karl J.; Elstner, M.; Frimand, Kenneth; Suhai, S.

    In: Chemical Physics, Vol. 246, No. 1-3, 1999, p. 13-36.

    Publication: Research - peer-reviewJournal article – Annual report year: 1999

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