Magdalena Pecul
Affiliations: | 2003-2004 | UiT The Arctic University of Norway |
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Publications
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| Jakubowska K, Pecul M, Ruud K. (2022) Vibrational Corrections to NMR Spin-Spin Coupling Constants from Relativistic Four-Component DFT Calculations. The Journal of Physical Chemistry. A |
| 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 |
| Jakubowska K, Pecul M, Jaszuński M. (2018) Spin–spin coupling constants in $$\hbox {HC}{\equiv }\hbox {CXH}_3$$ HC ≡ CXH 3 molecules; $$\hbox {X}{=}\hbox {C}$$ X = C , Si, Ge, Sn and Pb Theoretical Chemistry Accounts. 137 |
| 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 |
| Rybicka A, Pecul M. (2015) Induced circular dichroism of thioflavin T interacting with acetylcholinesterase: A computational study Chemical Physics. 463: 82-87 |