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Publications 2016

    Refereed articles in international scientific journals

    1. Ladislav Benda, Jíří Mareš, Enrico Ravera, Giacomo Parigi, Claudio Luchinat, Martin Kaupp, and Juha Vaara:
      Pseudo-contact NMR shifts over a paramagnetic metalloprotein (CoMMP-12) from first principles,
      Angewandte Chemie International Edition, 55 14713-14717 (2016). [DOI]

    2. Vasantha Gowda, Bipul Sarma, Sven Öberg, Ville-Veikko Telkki, Anna-Carin Larsson, Perttu Lantto, and Oleg N. Antzutkin:
      Structure Elucidation of an Yttrium Diethyldithiocarbamato-Phenanthroline Complex by X-ray Crystallography, Solid-State NMR, and ab-initio Quantum Chemical Calculations,
      European Journal of Inorganic Chemistry, 20, 3278-3291 (2016). [DOI]

    3. Vasantha Gowda, Risto S. Laitinen, Ville-Veikko Telkki, Anna-Carin Larsson, Oleg N. Antzutkin, and Perttu Lantto:
      DFT Calculations in the Assignment of Solid-state NMR and Crystal Structure Elucidation of a Lanthanum(III) Complex with Dithiocarbamate and Phenanthroline,
      Dalton Transactions, 45, 19473-19484 (2016). [DOI]

    4. Jared N. King, Vanessa J. Lee, Susanna Ahola, Ville-Veikko Telkki, and Tyler Meldrum:
      Ultrafast Multidimensional Laplace NMR Using a Single-sided Magnet,,
      Angewandte Chemie International Edition, 55, 5040-5043 (2016). [DOI]

    5. Katja Lappalainen, Johanna Kärkkäinen, Annu Rusanen, Tiia-Riikka Wik, Matti Niemelä, Asier Goitia Madariaga, Sanna Komulainen, Riitta L. Keiski, Marja Lajunen:
      Binding of some heavy metal ions in aqueous solution with cationized or sulphonylated starch or waste starch,
      Starch, 68, 900-908 (2016). [DOI]

    6. Patricio Provasi, María Luisa Jimeno, Ibon Alkorta, Felipe Reviriego, José Elguero, and Jukka Jokisaari:
      The 1H NMR spectrum of pyrazole in a nematic phase,
      Magnetic Resonance in Chemistry, 54, 637-640 (2016). [DOI]

    7. Jyrki Rantaharju and Juha Vaara:
      Liquid-state paramagnetic relaxation from first principles,
      Physical Review A 94, 043413:1-10 (2016). [DOI]

    8. Juho Roukala, Simon Orr, John V. Hanna, Juha Vaara, Alexander V. Ivanov, Oleg N. Antzutkin, and Perttu Lantto:
      Experimental and first-principles NMR analysis of Pt(II) complexes with O,O-dialkyldithiophosphate ligands,
      Journal of Physical Chemistry A, 120, 8326-8338 (2016). [DOI]

    9. Petr Stepanek, Thomas Y. Cowie, Martin Safarik, Jaroslav Sebestik, Radek Pohl, and Petr Bour:
      Resolving electronic transitions in synthetic fluorescent protein chromophores by magnetic circular dichroism,
      ChemPhysChem 17, 2348-2354 (2016). [DOI]

    10. Petr Stepanek, Michal Straka, Jaroslav Sebestik, and Petr Bour:
      Magnetic circular dichroism of chlorofullerenes: Experimental and computational study,
      Chemical Physics Letters 647, 117-121 (2016). [DOI]

    11. Vladimir V. Zhivonitko, Kristina Sorochkina, Konstantin Chernichenko, Bianka Kótai, Imre Pápai, Ville-Veikko Telkki, Timo Repo and Igor Koptyug:
      Nuclear Spin Hyperpolarization with ansa-Aminoboranes: A Metal-Free Perspective for Parahydrogen-Induced Polarization,
      Physical Chemistry Chemical Physics, 18, 27784-27795 (2016). [DOI]

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