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Publications of Perttu Lantto

    Refereed articles and book chapters:

    1. Perttu Lantto, Stanislav Standara, Sebastian Riedel, Juha Vaara, and Michal Straka:
      Exploring Unprecedented 129Xe Chemical Shift Ranges in Exotic HXeY Compounds: Hydrogen More Relativistic than Xenon,
      submitted for publication.

    2. Teemu S. Pennanen, Suvi Ikäläinen, Perttu Lantto, and Juha Vaara:
      Nuclear spin optical rotation and Faraday effect in gaseous and liquid water,
      Journal of Chemical Physics, 136 184502:1-6 (2012). [DOI]

    3. Suvi Ikäläinen, Perttu Lantto, and Juha Vaara:
      Fully relativistic calculations of Faraday and nuclear spin-induced optical rotation in xenon,
      Journal of Chemical Theory and Computation, 8, 91-98 (2012). [DOI]

    4. Juho Roukala, Alejandro F. Maldonado, Juha Vaara, Gustavo A. Aucar, and Perttu Lantto:
      Relativistic effects on group-12 metal nuclear shieldings,
      Physical Chemistry Chemical Physics, 13, 21016-21025 (2011). [DOI]

    5. Perttu Lantto, Karol Jackowski, Włodzimierz Makulski, Małgorzata Olejniczak, and Michał Jaszuński:
      NMR shielding constants in PH3, absolute shielding scale and the nuclear magnetic moment of 31P,
      Journal of Physical Chemistry A, 115, 10617-10623 (2011). [DOI]

    6. Matti Hanni, Perttu Lantto, and Juha Vaara:
      Nuclear spin relaxation due to chemical shift anisotropy of gas-phase 129Xe,
      Physical Chemistry Chemical Physics, 13, 13704-13708 (2011). [DOI]

    7. Teemu S. Pennanen, Perttu Lantto, Mikko Hakala, and Juha Vaara:
      Nuclear magnetic resonance parameters in water dimer,
      Theoretical Chemistry Accounts, 129, 313 (2011). [DOI]
      Published in the "Pyykkö Festschrift Issue".

    8. Suvi Ikäläinen, Michael V. Romalis, Perttu Lantto, and Juha Vaara:
      Chemical distinction by nuclear spin optical rotation,
      Physical Review Letters, 105, 153001 (2010). [DOI]
      Recent CSC newsflash (myös suomeksi).

    9. Anu M. Kantola, Perttu Lantto, Juha Vaara, and Jukka Jokisaari:
      Carbon and proton shielding tensors in methyl halides,
      Physical Chemistry Chemical Physics, 12, 2679-2692 (2010). [DOI]
      Recent CSC newsflash (myös suomeksi).


    10. Suvi Ikäläinen, Perttu Lantto, Pekka Manninen, and Juha Vaara:
      NMR tensors in planar hydrocarbons of increasing size,
      Cover article in Physical Chemistry Chemical Physics, 11, 11404-11414 (2009). [DOI]
      Recent CSC newsflash (myös suomeksi).

    11. Matti Hanni, Perttu Lantto, and Juha Vaara:
      Pairwise additivity in the nuclear magnetic resonance interactions of atomic xenon,
      Physical Chemistry Chemical Physics, 11, 2485-2496 (2009).[DOI]

    12. Suvi Ikäläinen, Perttu Lantto, Pekka Manninen, and Juha Vaara:
      Laser-induced nuclear magnetic resonance splitting in hydrocarbons,
      Journal of Chemical Physics, 129, 124102:1-8 (2008). [DOI].
      Published also at:
      Virtual Journal of Nanoscale Science and Technology, October 6 (2008).
      Virtual Journal of Ultrafast Science, October (2008).

    13. Michal Straka, Perttu Lantto, and Juha Vaara:
      Towards Calculations of the 129Xe Chemical Shift in Xe@C60 at Experimental Conditions: Relativity, Correlation, and Dynamics,
      Journal of Physical Chemistry A, 112, 2658-2668 (2008). [DOI]

    14. Michal Straka, Perttu Lantto, Markku Räsänen, and Juha 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]

    15. Matti Hanni, Perttu Lantto, Miroslav Iliaš, Hans-Jœrgen Aagaard Jensen, and Juha 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]

    16. Perttu Lantto and Juha Vaara:
      129Xe chemical shift by the perturbational relativistic method: Xenon fluorides,
      Journal of Chemical Physics, 127, 084312:1-9 (2007). [DOI].

    17. Teemu S. Pennanen, Perttu Lantto, Atte J. Sillanpää, and Juha Vaara:
      Nuclear magnetic resonance chemical shifts and quadrupole couplings for different hydrogen-bonding cases occurring in liquid water: A computational study,
      Journal of the Pysical Chemistry A, 111, 182-192 (2007). [DOI]

    18. Perttu Lantto, Rodolfo H. Romero, Sergio S. Gómez, Gustavo A. Aucar, and Juha Vaara:
      Relativistic heavy-atom effects on heavy-atom nuclear shieldings,
      Journal of Chemical Physics, 125, 184113:1-13 (2006). [DOI]

    19. Perttu Lantto and Juha Vaara:
      Calculations of nuclear quadrupole coupling in noble gas - noble metal fluorides: Interplay of relativistic and electron correlation effects,
      Journal of Chemical Physics, 125, 174315:1-7 (2006). [DOI]

    20. Pekka Manninen, Kenneth Ruud, Perttu Lantto, and Juha Vaara:
      Leading-order relativistic effects on nuclear magnetic resonance shielding tensors (Vol. 122 p. 114107:1-8, 2005),
      Journal of Chemical Physics, Erratum, 124, 149901:1-2 (2006). [DOI]

    21. Giuseppina De Luca, Marcello Longeri, Giuseppe Pileio, and Perttu Lantto:
      NMR spectroscopy investigation of the cooperative nature of the internal rotational motions in acetophenone,
      ChemPhysChem 6, 2086 - 2098 (2005). [DOI]

    22. Pekka Manninen, Kenneth Ruud, Perttu Lantto, and Juha Vaara:
      Leading-order relativistic effects on nuclear magnetic resonance shielding tensors,
      Journal of Chemical Physics 122, 114107:1-8 (2005). [DOI]
      See Erratum Ibid. above Ref. 13.

    23. Matti Hanni, Perttu Lantto, Nino Runeberg, Jukka Jokisaari and Juha Vaara:
      Calculation of binary magnetic properties and potential energy curve in xenon dimer: Second virial coefficient of 129Xe nuclear shielding,
      Journal of Chemical Physics 121, 5908-5919 (2004). [DOI]

    24. Teemu S. Pennanen, Juha Vaara, Perttu Lantto, Atte J. Sillanpää, Kari Laasonen, and Jukka Jokisaari:
      Nuclear magnetic shielding and quadrupole coupling tensors in liquid water: A combined molecular dynamics simulation and quantum chemical study,
      Journal of the American Chemical Society 126, 11093-11102 (2004). [DOI]

    25. Juha Vaara, Pekka Manninen, and Perttu Lantto:
      Perturbational and ECP calculation of relativistic effects in NMR shielding and spin-spin coupling,
      Refereed chapter for the book: Calculation of NMR and EPR parameters: Theory and Applications,
      Eds. M. Kaupp, M. Bühl and V. G. Malkin (2004 Wiley-VCH, Weinheim), pp. 209-226. [DOI]

    26. Pekka Manninen, Perttu Lantto, Juha Vaara, and Kenneth Ruud:
      Perturbational ab initio calculations of relativistic corrections
      to nuclear magnetic resonance shielding tensors,
      Journal of Chemical Physics 119, 2623-2637 (2003). [DOI]

    27. Perttu Lantto, Juha Vaara, and Trygve Helgaker:
      Spin-spin coupling tensors by density-functional linear response theory
      Journal of Chemical Physics 117, 5998-6009 (2002). [DOI]

    28. Perttu Lantto, Juha Vaara, Anu M. Kantola, Ville-Veikko Telkki, Bernd Schimmelpfennig, Kenneth Ruud, and Jukka Jokisaari:
      Relativistic spin-orbit coupling effects on secondary isotope shifts of 13C nuclear shielding
      in       CX2 (X = O, S, Se, Te),
      Journal of the American Chemical Society, 124, 2762-2771 (2002). [DOI]

    29. Perttu Lantto and Juha Vaara:
      Effect of correlating core orbitals in calculations of nuclear spin-spin couplings,
      Journal of Chemical Physics 114, 5482-5490 (2001). [DOI]

    30. Perttu Lantto, Jaakko Kaski, Juha Vaara and Jukka Jokisaari:
      Spin-spin coupling tensors in fluoromethanes,
      Chemistry-A European Journal 6, 1395-1406 (2000). [DOI]

    31. Jaakko Kaski, Perttu Lantto, Tapio T. Rantala, Jyrki Schroderus, Juha Vaara, and Jukka Jokisaari:
      Experimental and theoretical study of the spin-spin coupling tensors in methyl silane,
      Journal of Physical Chemistry A 103, 9669-9677 (1999). [DOI]

    32. Jaakko Kaski, Perttu Lantto, Juha Vaara and Jukka Jokisaari:
      Experimental and theoretical ab initio study of the 13C-13C spin-spin coupling
      and       1H and 13C shielding tensors in ethane, ethene and ethyne,
      Journal of the American Chemical Society 120, 3993-4005 (1998). [DOI]

    Other articles

    1. P. Lantto, M. Hanni, and T. S. Pennanen:
      Relativistic and environmental effects on NMR spectral parameters, Chapter for 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.

    Academic theses

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