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The Journal of Chemical Physics|December 13, 2012
Rovibrational effects on NMR shieldings in a heavy-element system: XeF2Perttu Lantto, Sanna Kangasvieri, Juha Vaara
The Journal of Physical Chemistry. A|February 29, 2008
Toward calculations of the 129Xe chemical shift in Xe@C60 at experimental conditions: relativity, correlation, and dynamicsMichal Straka, Perttu Lantto, Juha Vaara
The Journal of Chemical Physics|July 21, 2004
Perturbational relativistic theory of electron spin resonance g-tensorPekka Manninen, Juha Vaara, Kenneth Ruud
The Journal of Chemical Physics|March 22, 2013
Nuclear spin-spin coupling in a van der Waals-bonded system: xenon dimerJuha Vaara, Matti Hanni, Jukka Jokisaari
Physical Chemistry Chemical Physics : PCCP|September 13, 2013
Electron correlation and relativistic effects in the secondary NMR isotope shifts of CSe2Perttu Lantto, Sanna Kangasvieri, Juha Vaara
The Journal of Chemical Physics|July 10, 2014
Spin dynamics simulation of electron spin relaxation in Ni²⁺(aq)Jyrki Rantaharju, Jiří Mareš, Juha Vaara
Physical Chemistry Chemical Physics : PCCP|October 4, 2025
The nuclear magneto-electric response of a chiral molecule via molecular dynamics in a time-dependent electric fieldMateusz A Słowiński, Juha Vaara, Piotr Garbacz
Journal of Chemical Theory and Computation|June 22, 2017
Relativistic Approximations to Paramagnetic NMR Chemical Shift and Shielding Anisotropy in Transition Metal SystemsSyed Awais Rouf, Jiří Mareš, Juha Vaara
The Journal of Chemical Physics|July 23, 2004
Relativistic spin-orbit effects on hyperfine coupling tensors by density-functional theoryAlexei V Arbuznikov, Juha Vaara, Martin Kaupp
Journal of Chemical Theory and Computation|November 18, 2015
Magnetic couplings in the chemical shift of paramagnetic NMRJuha Vaara, Syed Awais Rouf, Jiří Mareš
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