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Journal of the American Chemical Society|March 14, 2002
Density functional calculations of electronic g-tensors for semiquinone radical anions. The role of hydrogen bonding and substituent effectsMartin Kaupp, Christian Remenyi, Juha Vaara, et al.The Journal of Chemical Physics|November 23, 2006
Relativistic heavy-atom effects on heavy-atom nuclear shieldingsPerttu Lantto, Rodolfo H Romero, Sergio S Gómez, et al.Journal of Chemical Theory and Computation|November 21, 2015
Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT CalculationsJana Přecechtělová, Markéta L Munzarová, Juha Vaara, et al.Angewandte Chemie (International Ed. in English)|October 27, 2016
Pseudo-Contact NMR Shifts over the Paramagnetic Metalloprotein CoMMP-12 from First PrinciplesLadislav Benda, Jiří Mareš, Enrico Ravera, et al.Physical Chemistry Chemical Physics : PCCP|May 7, 2010
Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effectsStanislav Standara, Katerina Malináková, Radek Marek, et al.Journal of the American Chemical Society|August 5, 2009
Characteristic spin-orbit induced 1H(CH2) chemical shifts upon deprotonation of group 9 polyamine aqua and alcohol complexesMarja Hyvärinen, Juha Vaara, Anna Goldammer, et al.Journal of the American Chemical Society|September 2, 2004
Nuclear magnetic shielding and quadrupole coupling tensors in liquid water: a combined molecular dynamics simulation and quantum chemical studyTeemu S Pennanen, Juha Vaara, Perttu Lantto, et al.Journal of the American Chemical Society|March 14, 2002
Relativistic spin-orbit coupling effects on secondary isotope shifts of (13)C nuclear shielding in CX(2) (X = O, S, Se, Te)Perttu Lantto, Juha Vaara, Anu M Kantola, et al.Physical Chemistry Chemical Physics : PCCP|June 9, 2025
Characterisation of the polarisation transfer to fluorinated pyridines in SABREJoni Eronen, S Karl-Mikael Svensson, Nazmul Hossain, et al.Physical Chemistry Chemical Physics : PCCP|September 1, 2023
Unravelling the effect of paramagnetic Ni2+ on the 13C NMR shift tensor for carbonate in Mg2-NiAl layered double hydroxides by quantum-chemical computationsMegha Mohan, Anders B A Andersen, Jiří Mareš, et al.Pageof 15