Magdalena Pecul

2003-2004 UiT The Arctic University of Norway 
"Magdalena Pecul"
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Jakubowska K, Pecul M, Ruud K. (2021) Relativistic Four-Component DFT Calculations of Vibrational Frequencies. The Journal of Physical Chemistry. A
Jakubowska K, Pecul M. (2019) Nuclear Magnetic Resonance parameters of mercury atom and water molecule complex: Relativistic calculations Chemical Physics Letters. 736: 136775
Rybicka A, Longhi G, Castiglioni E, et al. (2016) Thioflavin T: Electronic Circular Dichroism and Circularly Polarized Luminescence Induced by Amyloid Fibrils. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 17: 2931-7
Wodyński A, Malkina OL, Pecul M. (2016) The Relativistic Effects on the Carbon-Carbon Coupling Constants Mediated by a Heavy Atom. The Journal of Physical Chemistry. A
Kamiński M, Cukras J, Pecul M, et al. (2015) A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption. Physical Chemistry Chemical Physics : Pccp. 17: 19079-86
Pikulska A, Steindal AH, Beerepoot MT, et al. (2015) Electronic circular dichroism of fluorescent proteins: a computational study. The Journal of Physical Chemistry. B. 119: 3377-86
Narbutt J, Wodyński A, Pecul M. (2015) The selectivity of diglycolamide (TODGA) and bis-triazine-bipyridine (BTBP) ligands in actinide/lanthanide complexation and solvent extraction separation - a theoretical approach. Dalton Transactions (Cambridge, England : 2003). 44: 2657-66
Kauch M, Pecul M. (2014) What factors influence the metal-proton spin-spin coupling constants in mercury- and cadmium-substutited rubredoxin? The Journal of Physical Chemistry. A. 118: 4471-9
Wodyński A, Pecul M. (2014) The influence of a presence of a heavy atom on the spin-spin coupling constants between two light nuclei in organometallic compounds and halogen derivatives. The Journal of Chemical Physics. 140: 024319
Wodyński A, Gryff-Keller A, Pecul M. (2013) The Influence of a Presence of a Heavy Atom on (13)C Shielding Constants in Organomercury Compounds and Halogen Derivatives. Journal of Chemical Theory and Computation. 9: 1909-17
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