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Publications 2007

    Refereed articles

    1. J. Autschbach, A. M. Kantola, and J. Jokisaari:
      NMR measurements and density functional calculations of the 199Hg-13C spin-spin coupling tensor in methylmercury halides,
      Journal of Physical Chemistry A, 111, 5343-5348 (2007). [DOI]

    2. M. Hanni, P. Lantto, M. Iliaš, H. J. Aa. Jensen, and J. Vaara:
      Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer,
      Journal of Chemical Physics, 127, 164313:1-13 (2007). [DOI]

    3. A. M. Kantola, S. Ahola, J. Vaara, J. Saunavaara, and J. Jokisaari:
      Experimental and quantum-chemical determination of the 2H quadrupole coupling tensor in deuterated benzenes,
      Physical Chemistry Chemical Physics, 9, 481-490 (2007). [DOI]

    4. P. Lantto, and J. Vaara:
      129Xe chemical shift by the perturbational relativistic method: Xenon fluorides,
      Journal of Chemical Physics, 127, 084312:1-9 (2007). [DOI]
      Recent CSC newsflash (in finnish).

    5. E. Liimatta, A. M. Kantola, and I. E. Hassinen:
      Dual probe fluorescence monitoring of intracellular free calcium during ischemia in mouse heart by using continuous compensation for pH dependence of dissociation constant of Fura-2, and the interference of myoglobin,
      Journal of Biochemical and Biophysical Methods, 70, 547-554 (2007). [DOI]

    6. T. S. Pennanen, P. Lantto, A. J. Sillanpää, and J. Vaara:
      Nuclear magnetic resonance chemical shifts and quadrupole couplings for different hydrogen-bonding cases occurring in liquid water: A computational study,
      Journal of Physical Chemistry A, 111, 182-192 (2007). [DOI]

    7. M. Straka, P. Lantto, M. Räsänen, and J. Vaara:
      Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: Chemical shifts and nuclear quadrupole couplings in HXeCCH,
      Journal of Chemical Physics,127, 234314:1-13 (2007). [DOI]

    8. V.-V. Telkki, J. Lounila, and J. Jokisaari:
      Xenon porometry. A novel method for the derivation of pore size distribution,
      Magnetic Resonance Imaging, 25, 457-460 (2007). [DOI]


    9. V.-V. Telkki, C. Hilty, S. Garcia, E. Harel, and A. Pines:
      Quantifying the Diffusion of a Fluid through Membranes by Double Phase Encoded Remote Detection MRI,
      Journal of Physical Chemistry B, 111, 13929-13936 (2007). [DOI]

    Other articles

    1. P. Lantto, M. Hanni, and T. S. Pennanen:
      Relativistic and environmental effects on NMR spectral parameters, Chapter in the book: CSC Report on Computational Science in Finland 2006-2007, Eds. A. Sillanpää, J. Fagerholm, S. Kotila, J. Ahokas, P.-L. Forsström, E. Järvinen, A.-M. Sarén, J. Tarus, and E. Vitie (2007 CSC - Scientific Computing Ltd., Finland), pp. 82-85.
      Electronic version at CSC.

    Conference proceedings and abstracts

    1. M. Hanni, P. Lantto, and J. Vaara:
      Ways to accurately approximate xenon NMR properties,
      Poster in: European Summerschool in Quantum Chemistry (ESQC-07), Altavilla Milicia, Sicily, Italy, September 2-15, 2007.

    2. J. Jokisaari, and P. Tallavaara:
      13C NMR of methyl iodide and methane in thermotropic nematic liquid crystals confined to mesoporous glasses,
      Invited talk in: ISMAR, 16th Triennial Conference for the International Society of Magnetic Resonance, Kenting, Taiwan, October 14 - 19, 2007.

    3. J. Jokisaari, and P. Tallavaara:
      13C NMR of methyl iodide and methane in thermotropic nematic liquid crystals confined to mesoporous glasses,
      Poster in: ISMAR, 16th Triennial Conference for the International Society of Magnetic Resonance, Kenting, Taiwan, October 14 - 19, 2007.

    4. A. M. Kantola, S. Ahola, J. Vaara, J. Saunavaara, and J. Jokisaari:
      Deuterium quadrupole coupling in benzene,
      Invited talk in: The XXIX Finnish NMR Symposium, Turku, June 13 - 15, 2007.

    5. J. Lounila, H. Tervonen, and J. Jokisaari:
      Characterization of porous materials by the relaxation time of SF6,
      Poster in: EUROMAR Magnetic Resonance Conference, Tarragona, Spain, July 1 - 5, 2007.

    6. P. Tallavaara, and J. Jokisaari:
      A novel NMR method to determine nuclear shielding anisotropies with 13C shielding anisotropy of methyl iodide as an example,
      Poster in: The XXIX Finnish NMR Symposium, Turku, June 13 - 15, 2007.

    7. P. Tallavaara, and J. Jokisaari:
      A novel NMR method to determine nuclear shielding anisotropies with 13C shielding anisotropy of methyl iodide as an example,
      Poster in: EUROMAR Magnetic Resonance Conference, Tarragona, Spain, July 1 - 5, 2007.

    8. P. Tallavaara, and J. Jokisaari:
      Methyl iodide and methane in liquid crystals confined to porous materials as studied by 13C NMR spectroscopy,
      Poster in: SMASH Small Molecule NMR Conference, Chamonix, France, September 16 - 19, 2007.

    9. P. Tallavaara, and J. Jokisaari:
      Behavior of methyl iodide and methane in liquid crystals confined to mesoporous CPG materials as studied by 13C NMR spectroscopy,
      Invited talk in: NMR in Oriented Phases Second edition, Tropea, Italy, October 3 - 7, 2007.

    10. V.-V. Telkki, C. Hilty, S. Garcia, E. Harel, and A. Pines:
      Measuring the diffusion of a fluid through membranes by remote detection NMR,
      Invited talk in: The XXIX Finnish NMR Symposium, Turku, June 13 - 15, 2007.

    11. H. Tervonen, J. Lounila, and J. Jokisaari:
      19F spin-lattice relaxation time measurements of SF6 in porous materials,
      Poster in: The XXIX Finnish NMR Symposium, Turku, June 13 - 15, 2007.

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