Publications by year

Publications 2016

Refereed articles in international scientific journals

1. Ladislav Benda, Jiří 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][University of Oulu repository]
   
   
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][University of Oulu repository]
   
   
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][University of Oulu repository]
   
   
9. Petr Štěpánek, Thomas Y. Cowie, Martin Šafařík, Jaroslav Šebestík, Radek Pohl, and Petr Bouř:
   Resolving electronic transitions in synthetic fluorescent protein chromophores by magnetic circular dichroism,
   ChemPhysChem 17, 2348-2354 (2016). [DOI]
   
   
10. Petr Štěpánek, Michal Straka, Jaroslav Šebestík, and Petr Bouř:
    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]