Perturbational ab initio calculations of relativistic contributions to nuclear magnetic resonance shielding tensors P Manninen, P Lantto, J Vaara, K Ruud
The Journal of chemical physics 119 (5), 2623-2637, 2003
147 2003 Leading-order relativistic effects on nuclear magnetic resonance shielding tensors P Manninen, K Ruud, P Lantto, J Vaara
The Journal of chemical physics 122 (11), 2005
130 2005 Leading-order relativistic effects on nuclear magnetic resonance shielding tensors P Manninen, K Ruud, P Lantto, J Vaara
The Journal of chemical physics 122 (11), 2005
130 2005 Experimental and Theoretical ab I nitio Study of the 13 C−13 C Spin−Spin Coupling and 1 H and 13 C Shielding Tensors in Ethane, Ethene, and Ethyne J Kaski, P Lantto, J Vaara, J Jokisaari
Journal of the American Chemical Society 120 (16), 3993-4005, 1998
120 1998 Encapsulation of Xenon by a Self-Assembled Fe4 L6 Metallosupramolecular Cage J Roukala, J Zhu, C Giri, K Rissanen, P Lantto, VV Telkki
Journal of the American Chemical Society 137 (7), 2464-2467, 2015
103 2015 Toward Calculations of the 129 Xe Chemical Shift in Xe@C60 at Experimental Conditions: Relativity, Correlation, and Dynamics M Straka, P Lantto, J Vaara
The Journal of Physical Chemistry A 112 (12), 2658-2668, 2008
82 2008 Spin–spin coupling tensors by density-functional linear response theory P Lantto, J Vaara, T Helgaker
The Journal of chemical physics 117 (13), 5998-6009, 2002
82 2002 Nuclear magnetic shielding and quadrupole coupling tensors in liquid water: a combined molecular dynamics simulation and quantum chemical study TS Pennanen, J Vaara, P Lantto, AJ Sillanpää, K Laasonen, J Jokisaari
Journal of the American Chemical Society 126 (35), 11093-11102, 2004
80 2004 Carbon and proton shielding tensors in methyl halides AM Kantola, P Lantto, J Vaara, J Jokisaari
Physical Chemistry Chemical Physics 12 (11), 2679-2692, 2010
68 2010 Relativistic heavy-atom effects on heavy-atom nuclear shieldings P Lantto, RH Romero, SS Gómez, GA Aucar, J Vaara
The Journal of chemical physics 125 (18), 2006
59 2006 Calculation of binary magnetic properties and potential energy curve in xenon dimer: Second virial coefficient of nuclear shielding M Hanni, P Lantto, N Runeberg, J Jokisaari, J Vaara
The Journal of chemical physics 121 (12), 5908-5919, 2004
57 2004 NMR Shielding Constants in PH3 , Absolute Shielding Scale, and the Nuclear Magnetic Moment of 31 P P Lantto, K Jackowski, W Makulski, M Olejniczak, M Jaszuński
The Journal of Physical Chemistry A 115 (38), 10617-10623, 2011
52 2011 Chemical distinction by nuclear spin optical rotation S Ikäläinen, MV Romalis, P Lantto, J Vaara
Physical review letters 105 (15), 153001, 2010
51 2010 Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: Chemical shifts and nuclear quadrupole couplings in HXeCCH M Straka, P Lantto, M Räsänen, J Vaara
The Journal of chemical physics 127 (23), 2007
49 2007 Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer M Hanni, P Lantto, M Iliaš, HJA Jensen, J Vaara
The Journal of chemical physics 127 (16), 2007
49 2007 Xe129 chemical shift by the perturbational relativistic method: Xenon fluorides P Lantto, J Vaara
The Journal of chemical physics 127 (8), 2007
45 2007 Inside information on xenon adsorption in porous organic cages by NMR S Komulainen, J Roukala, VV Zhivonitko, MA Javed, L Chen, D Holden, ...
Chemical Science 8 (8), 5721-5727, 2017
43 2017 Exploring new 129 Xe chemical shift ranges in HXeY compounds: hydrogen more relativistic than xenon P Lantto, S Standara, S Riedel, J Vaara, M Straka
Physical Chemistry Chemical Physics 14 (31), 10944-10952, 2012
43 2012 Relativistic effects on group-12 metal nuclear shieldings J Roukala, AF Maldonado, J Vaara, GA Aucar, P Lantto
Physical Chemistry Chemical Physics 13 (47), 21016-21025, 2011
43 2011 Nuclear magnetic resonance predictions for graphenes: concentric finite models and extrapolation to large systems J Vähäkangas, S Ikäläinen, P Lantto, J Vaara
Physical Chemistry Chemical Physics 15 (13), 4634-4641, 2013
42 2013