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Paramagnetic Pyrazolylborate Complexes Tp(2)M and Tp*M-2: H-1, C-13, B-11, and N-14 NMR Spectra and First-Principles Studies of Chemical Shifts Pyykkonen A, Feher R, Kohler FH, Vaara J Inorganic Chemistry, 59(13), 9294, 2020 |
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Brownian Translational Dynamics on a Flexible Surface: Nuclear Spin Relaxation of Fluid Membrane Phases Hakansson P, Boirin T, Vaara J Langmuir, 34(12), 3755, 2018 |
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Experimental and First-Principles NMR Analysis of Pt(II) Complexes With O,O'-Dialkyldithiophosphate Ligands Roukala J, Orr ST, Hanna JV, Vaara J, Ivanov AV, Antzutkin ON, Lantto P Journal of Physical Chemistry A, 120(42), 8326, 2016 |
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Characteristic Spin-Orbit Induced H-1(CH2) Chemical Shifts upon Deprotonation of Group 9 Polyamine Aqua and Alcohol Complexes Hyvarinen M, Vaara J, Goldammer A, Kutzky B, Hegetschweiler K, Kaupp M, Straka M Journal of the American Chemical Society, 131(33), 11909, 2009 |
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Toward calculations of the Xe-129 chemical shift in Xe@C-60 at experimental conditions: Relativity, correlation, and dynamics Straka M, Lantto P, Vaara J Journal of Physical Chemistry A, 112(12), 2658, 2008 |
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Nuclear magnetic resonance chemical shifts and quadrupole couplings for different hydrogen-bonding cases occurring in liquid water: A computational study Pennanen TS, Lantto P, Sillanpaa AJ, Vaara J Journal of Physical Chemistry A, 111(1), 182, 2007 |
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Density functional calculations of He-3 chemical shift in endohedral helium fullerenes: Neutral, anionic, and di-helium species Straka M, Vaara J Journal of Physical Chemistry A, 110(44), 12338, 2006 |
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Laser-induced splittings in the nuclear magnetic resonance spectra of the rare gas atoms Romero RH, Vaara J Chemical Physics Letters, 400(1-3), 226, 2004 |
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Relativistic spin-orbit effects on hyperfine coupling tensors by density-functional theory Arbuznikov AV, Vaara J, Kaupp M Journal of Chemical Physics, 120(5), 2127, 2004 |
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Perturbational relativistic-theory of electron spin resonance g-tensor Manninen P, Vaara J, Ruud K Journal of Chemical Physics, 121(3), 1258, 2004 |