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The Vaara group works in the theory of magnetic resonance, with expert methodological knowledge in theoretical chemistry and computational molecular physics. The principal contributions and ongoing work are in
relativistic, rovibrational and solvation contributions to NMR parameters
the NMR parameters of noble gases
the shielding tensors, chemical shifts and spin relaxation in paramagnetic NMR
nuclear magneto-optic phenomena
We develop experimental, theoretical and computational research methods based on magnetic resonance phenomena and apply those methods to topical problems in molecular and materials sciences, with particular interest in the above aspects. CPU-intensive computational research is carried out mainly using the facilities of the national supercomputer centre. Local Linux clusters belonging to the Finnish Grid and Cloud Infrastructure are used for high-throughput production calculations.
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Physical Chemistry Chemical Physicsno. 34 (2023): 22719-22733
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Physical chemistry chemical physics : PCCP (2023)
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PHYSICAL CHEMISTRY CHEMICAL PHYSICSno. 15 (2023): 10620-10627
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Physical Chemistry Chemical Physicsno. 4 (2023): 3121-3135
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