All Stories

  1. Characteristic Spectral Patterns in the Carbon‐13 Nuclear Magnetic Resonance Spectra of Hexagonal and Crenellated Graphene Fragments

    Article • ChemPhysChem, May 2014, Wiley

    Perttu Lantto

  2. Curie-type paramagnetic NMR relaxation in the aqueous solution of Ni(ii)

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Perttu Lantto

  3. Nuclear magnetic resonance predictions for graphenes: concentric finite models and extrapolation to large systems

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Perttu Lantto

  4. Electron correlation and relativistic effects in the secondary NMR isotope shifts of CSe2

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Perttu Lantto

  5. Constant-pressure simulations of Gay–Berne liquid-crystalline phases in cylindrical nanocavities

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Perttu Lantto

  6. Rovibrational effects on NMR shieldings in a heavy-element system: XeF2

    Article • The Journal of Chemical Physics, December 2012, American Institute of Physics

    Perttu Lantto

  7. Nuclear spin optical rotation and Faraday effect in gaseous and liquid water

    Article • The Journal of Chemical Physics, May 2012, American Institute of Physics

    Perttu Lantto

  8. Exploring new 129Xe chemical shift ranges in HXeY compounds: hydrogen more relativistic than xenon

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Michal Straka, Perttu Lantto

  9. Fully Relativistic Calculations of Faraday and Nuclear Spin-Induced Optical Rotation in Xenon

    Article • Journal of Chemical Theory and Computation, December 2011, American Chemical Society (ACS)

    Perttu Lantto

  10. NMR Shielding Constants in PH3, Absolute Shielding Scale, and the Nuclear Magnetic Moment of 31P

    Article • The Journal of Physical Chemistry A, September 2011, American Chemical Society (ACS)

    Perttu Lantto

  11. Relativistic effects on group-12 metal nuclear shieldings

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Perttu Lantto, Gustavo Adolfo Aucar

  12. Nuclear spin relaxation due to chemical shift anisotropy of gas-phase 129Xe

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Perttu Lantto

  13. Chemical Distinction by Nuclear Spin Optical Rotation

    Article • Physical Review Letters, October 2010, American Physical Society (APS)

    Perttu Lantto

  14. Nuclear magnetic resonance parameters in water dimer

    Article • Theoretical Chemistry Accounts, August 2010, Springer Science + Business Media

    Perttu Lantto

  15. Carbon and proton shielding tensors in methyl halides

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Perttu Lantto

  16. NMR tensors in planar hydrocarbons of increasing size

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    Perttu Lantto

  17. Pairwise additivity in the nuclear magnetic resonance interactions of atomic xenon

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    Perttu Lantto

  18. Laser-induced nuclear magnetic resonance splitting in hydrocarbons

    Article • The Journal of Chemical Physics, September 2008, American Institute of Physics

    Perttu Lantto

  19. Toward Calculations of the 129Xe Chemical Shift in Xe@C60 at Experimental Conditions:  Relativity, Correlation, and Dynamics

    Article • The Journal of Physical Chemistry A, February 2008, American Chemical Society (ACS)

    Perttu Lantto

  20. Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: Chemical shifts and nuclear quadrupole couplings in HXeCCH

    Article • The Journal of Chemical Physics, December 2007, American Institute of Physics

    Perttu Lantto

  21. Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer

    Article • The Journal of Chemical Physics, October 2007, American Institute of Physics

    Perttu Lantto, Miroslav Iliaš, Professor Hans Jørgen Aagaard Jensen

  22. Xe 129 chemical shift by the perturbational relativistic method: Xenon fluorides

    Article • The Journal of Chemical Physics, August 2007, American Institute of Physics

    Perttu Lantto

  23. Nuclear Magnetic Resonance Chemical Shifts and Quadrupole Couplings for Different Hydrogen-Bonding Cases Occurring in Liquid Water:  A Computational Study

    Article • The Journal of Physical Chemistry A, December 2006, American Chemical Society (ACS)

    Perttu Lantto

  24. Relativistic heavy-atom effects on heavy-atom nuclear shieldings

    Article • The Journal of Chemical Physics, November 2006, American Institute of Physics

    Perttu Lantto

  25. Calculations of nuclear quadrupole coupling in noble gas–noble metal fluorides: Interplay of relativistic and electron correlation effects

    Article • The Journal of Chemical Physics, November 2006, American Institute of Physics

    Perttu Lantto

  26. Erratum: “Leading-order relativistic effects on nuclear magnetic resonance shielding tensors” [J. Chem. Phys. 122, 114107 (2005)]

    Article • The Journal of Chemical Physics, April 2006, American Institute of Physics

    Perttu Lantto

  27. NMR Spectroscopy Investigation of the Cooperative Nature of the Internal Rotational Motions in Acetophenone

    Article • ChemPhysChem, October 2005, Wiley

    Perttu Lantto

  28. Leading-order relativistic effects on nuclear magnetic resonance shielding tensors

    Article • The Journal of Chemical Physics, March 2005, American Institute of Physics

    Perttu Lantto

  29. Perturbational and ECP Calculation of Relativistic Effects in NMR Shielding and Spin—Spin Coupling

    Article • ChemInform, March 2005, Wiley

    Perttu Lantto

  30. Calculation of binary magnetic properties and potential energy curve in xenon dimer: Second virial coefficient of Xe129 nuclear shielding

    Article • The Journal of Chemical Physics, September 2004, American Institute of Physics

    Perttu Lantto

  31. Nuclear Magnetic Shielding and Quadrupole Coupling Tensors in Liquid Water:  A Combined Molecular Dynamics Simulation and Quantum Chemical Study

    Article • Journal of the American Chemical Society, August 2004, American Chemical Society (ACS)

    Perttu Lantto

  32. Perturbational and ECP Calculation of Relativistic Effects in NMR Shielding and Spin–Spin Coupling

    Article • May 2004, Wiley

    Perttu Lantto

  33. Perturbational ab initio calculations of relativistic contributions to nuclear magnetic resonance shielding tensors

    Article • The Journal of Chemical Physics, August 2003, American Institute of Physics

    Perttu Lantto

  34. Spin–spin coupling tensors by density-functional linear response theory

    Article • The Journal of Chemical Physics, October 2002, American Institute of Physics

    Perttu Lantto

  35. Effect of correlating core orbitals in calculations of nuclear spin–spin couplings

    Article • The Journal of Chemical Physics, April 2001, American Institute of Physics

    Perttu Lantto

  36. Experimental and Theoretical Study of the Spin−Spin Coupling Tensors in Methylsilane

    Article • The Journal of Physical Chemistry A, November 1999, American Chemical Society (ACS)

    Perttu Lantto

  37. Experimental and Theoretical ab Initio Study of the 13C−13C Spin−Spin Coupling and 1H and 13C Shielding Tensors in Ethane, Ethene, and Ethyne

    Article • Journal of the American Chemical Society, April 1998, American Chemical Society (ACS)

    Perttu Lantto