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Publications 2017

    Refereed articles in international scientific journals

    1. Susanna Ahola, Otto Mankinen, and Ville-Veikko Telkki:
      Ultrafast NMR diffusion measurements exploiting CHIRP spin echoes,
      Magnetic Resonance in Chemistry, 55, 341–347 (2017). [DOI: 10.1002/mrc.4540]

    2. Danila A. Barskiy, Aaron M. Coffey, Panayiotis Nikolaou, Dmitry M. Mikhaylov, Boyd M. Goodson, Rosa T. Branca, George J. Lu, Mikhail G. Shapiro, Ville-Veikko Telkki, Vladimir V. Zhivonitko, Igor V. Koptyug, Oleg G. Salnikov, Kirill V. Kovtunov, Valerii I. Bukhtiyarov, Matthew S. Rosen, Michael J. Barlow, Shahideh Safavi, Ian P. Hall, Leif Schröder and Eduard Y. Chekmenev:
      NMR Hyperpolarization Techniques of Gases,
      Chemistry - A European Journal, 23, 725-751 (2017). [DOI: 10.1002/chem.201603884]

    3. Peter John Cherry, Syed Awais Rouf, and Juha Vaara:
      Paramagnetic enhancement of nuclear spin-spin coupling,
      Journal of Chemical Theory and Computation, 13, 1275-1283 (2017). [DOI: 10.1021/acs.jctc.6b01080]

    4. Werner Marcelo Goldmann, Juha Ahola, Otto Mankinen, Anu M. Kantola, Sanna Komulainen, Ville-Veikko Telkki, Juha Tanskanen:
      Determination of Phenolic Hydroxyl Groups in Technical Lignins by Ionization Difference Ultravieolet Spectrophotometry (Δε-IDUS method),
      Periodica Polytechnica Chemical Engineering, 61, 93-101 (2017). [DOI: 10.3311/PPch.9269]

    5. Vasantha Gowda, Bipul Sarma, Risto S. Laitinen, Anna-Carin Larsson, Alexander Ivanov, Dinu Iuga, Perttu Lantto, and Oleg N. Antzutkin:
      Structural Insights into the Polymorphism of Bismuth(III) Di-n-Butyldithiocarbamate by X-Ray Diffraction, Solid-State (13C/15N) CP-MAS NMR, and DFT Calculations,
      Polyhedron, 129, 123-132 (2017). [DOI: 10.1016/j.poly.2017.03.018]

    6. Matti Hanni, Perttu Lantto, Michal Repiský, Jíří Mareš, Brian Saam and Juha Vaara:
      Electron and nuclear spin polarization in Rb-Xe spin-exchange optical hyperpolarization,
      Physical Review A, 95, 032509 (2017). [DOI: 10.1103/PhysRevA.95.032509]

    7. Pär Håkansson:
      Prediction of low-field nuclear singlet lifetimes by molecular dynamics and quantum chemistry,
      Physical Chemistry Chemical Physics, 19, 10237-10254 (2017).
      2017 PCCP HOT Article [DOI: 10.1039/C6CP08394C]

    8. Muhammad Asadullah Javed, Susanna Ahola, Pär Håkansson, Otto Mankinen, Muhammad Kamran Aslam, Andrei Filippov, Faiz Ullah Shah, Sergei Glavatskih, Oleg. N. Antzutkin, and Ville-Veikko Telkki:
      Structure and dynamics elucidation of ionic liquids by multidimensional Laplace NMR, Chemical Communications, submitted for publication, (2017).

    9. Jukka Jokisaari, Anu M. Kantola and Juha Vaara:
      Magnetic field-induced effects on NMR properties,
      Journal of Magnetic Resonance, 281, 1-6 (2017). [DOI: 10.1016/j.jmr.2017.04.010]

    10. Sanna Komulainen, Juho Roukala, Vladimir V. Zhivonitko, Muhammad Asadullah Javed, Linjiang Chen, Daniel Holden, Tom Hasell, Andrew Cooper, Perttu Lantto, and Ville-Veikko Telkki:
      Inside Information of Xenon Adsorption in Porous Organic Cages by NMR,
      Chemical Science, 8, 5721-5727 (2017). [DOI: 10.1039/C7SC01990D]

    11. Otto Mankinen, Julia Hollenbach, Susanna Ahola, Jörg Matysik, and Ville-Veikko Telkki:
      Ultrafast Laplace NMR with hyperpolarized xenon gas,
      submitted for publication, (2017).

    12. Syed Awais Rouf, Vibe Boel Jakobsen, Jíří Mareš, Nicholai Daugaard Jensen, Christine McKenzie, Juha Vaara, and Ulla Gro Nielsen:
      Assignment of solid-state 13C and 1H NMR spectra of paramagnetic Ni(II) acetylacetonate complexes aided by first-principles computations,
      Solid State Nuclear Magnetic Resonance, 87, 29-37 (2017). [DOI: 10.1016/j.ssnmr.2017.07.003]

    13. Syed Awais Rouf, Jíří Mareš, and Juha Vaara:
      Relativistic approximations to paramagnetic NMR chemical shift and shielding anisotropy in transition metal systems,
      Journal of Chemical Theory and Computation, 13, 3731-3745 (2017). [DOI: 10.1021/acs.jctc.7b00168]

    14. Ville Rontu, A. Selent, Vladimir V. Zhivonitko, Gianmario Scotti, Igor V. Koptyug, Ville-Veikko Telkki and Sami Franssila:
      Efficient catalytic microreactors with atomic layer deposited platinum nanoparticles on oxide support,
      accepted for publication in Chemistry - A European Journal. [DOI: 10.1002/chem.201703391]

    15. Juho Roukala, Michal Straka, Stefan Taubert, Juha Vaara, and Perttu Lantto:
      Ratcheting Rotation or Speedy Spinning: EPR and Dynamics of Sc3C2@C80,
      Chemical Communications, 53, 8992-8995 (2017), [DOI: 10.1039/C7CC04695B]

    16. Anne Selent, Vladimir V. Zhivonitko, Igor V. Koptyug, and Ville-Veikko Telkki:
      Quantifying the adsorption of flowing gas mixtures in porous materials by remote detection NMR,
      Microporous and Mesoporous Materials, in press (2017). [DOI: 10.1016/j.micromeso.2017.05.040]

    17. Marcin Selent, Jonas Nyman, Juho Roukala, Marek Ilczyszyn, Raija Oilunkaniemi, Peter J. Bygrave, Risto Laitinen, Jukka Jokisaari, Graeme M. Day, and Perttu Lantto:
      Clathrate structure determination by combining crystal structure prediction with computational and experimental 129Xe NMR spectroscopy,
      Chemistry - A European Journal, 23, 5258-5269 (2017). [DOI: 10.1002/chem.201604797]
      Inside Back Cover [DOI: 10.1002/chem.201700348]

    18. Petr Stepanek, Sonia Coriani, Dage Sundholm, Vasily A. Ovchinnikov, and Juha Vaara:
      Relation between molecular electronic structure and nuclear spin-induced circular dichroism,
      Scientific Reports 7, 46617:1-11 (2017). [DOI: 10.1038/srep46617]

    19. Jarkko Vähäkangas, Perttu Lantto, Juha Vaara, Marko Huttula, and Wei Cao:
      Orienting spins in dually doped monolayer MoS2: From one-sided to double-sided doping,
      Chemical Communications, 53, 5428-5431 (2017). [DOI: 10.1039/C7CC01560G]

    20. Bing Zhou, Sanna Komulainen, Juha Vaara, and Ville-Veikko Telkki:
      Characterization of nanopore structures of hydrated cements and natural shales by 129Xe NMR spectroscopy,
      Microporous and Mesoporous Materials, 253, 49-54 (2017). [DOI: 10.1016/j.micromeso.2017.06.038]

    Refereed articles in international scientific compilation works

    1. J. Jokisaari:
      NMR spectroscopy, 129Xe, 131Xe,
      in The Encyclopedia of Spectroscopy and Spectrometry, eds J. C. Lindon, G. E. Tranter, and D. W. Koppenaal, 3rd edition vol. 3, pp. 260-273, Oxford: Academic Press (2017).

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