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Magdalena Pecul

Showing results (11-20 of 32) with videos related to

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The Journal of Physical Chemistry. B|March 29, 2012
Vibrational optical activity of cysteine in aqueous solution: a comparison of theoretical and experimental spectraMaciej Kamiński, Andrzej Kudelski, Magdalena Pecul
The Journal of Physical Chemistry. A|August 26, 2011
Theoretical prediction of the spin-spin coupling constants between an axis and macrocycle of a rotaxaneAnna Pikulska, Małgorzata Kauch, Magdalena Pecul
The Journal of Chemical Physics|July 12, 2012
A comparison of two-component and four-component approaches for calculations of spin-spin coupling constants and NMR shielding constants of transition metal cyanidesArtur Wodyński, Michal Repiský, Magdalena Pecul
The Journal of Physical Chemistry. A|September 22, 2022
Vibrational Corrections to NMR Spin-Spin Coupling Constants from Relativistic Four-Component DFT CalculationsKatarzyna Jakubowska, Magdalena Pecul, Kenneth Ruud
Journal of Chemical Theory and Computation|November 20, 2015
The Influence of a Presence of a Heavy Atom on (13)C Shielding Constants in Organomercury Compounds and Halogen DerivativesArtur Wodyński, Adam Gryff-Keller, Magdalena Pecul
The Journal of Physical Chemistry. A|May 14, 2016
The Relativistic Effects on the Carbon-Carbon Coupling Constants Mediated by a Heavy AtomArtur Wodyński, Olga L Malkina, Magdalena Pecul
Magnetic Resonance in Chemistry : MRC|April 1, 2011
DFT calculations of 31P spin-spin coupling constants and chemical shift in dioxaphosphorinanesMagdalena Pecul, Mateusz Urbańczyk, Artur Wodyński, et al.
The Journal of Chemical Physics|January 14, 2012
A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basisMałgorzata Olejniczak, Radovan Bast, Trond Saue, et al.
The Journal of Chemical Physics|August 5, 2004
Electric field effects on the shielding constants of noble gases: a four-component relativistic Hartree-Fock studyMagdalena Pecul, Trond Saue, Kenneth Ruud, et al.
The Journal of Chemical Physics|July 8, 2008
Theoretical investigation on the linear and nonlinear susceptibilities of urea crystalMałgorzata Olejniczak, Magdalena Pecul, Benoît Champagne, et al.
Pageof 4

Showing results (11-20 of 32) with videos related to

Sort By:
Pageof 4
The Journal of Physical Chemistry. B|March 29, 2012
Vibrational optical activity of cysteine in aqueous solution: a comparison of theoretical and experimental spectraMaciej Kamiński, Andrzej Kudelski, Magdalena Pecul
The Journal of Physical Chemistry. A|August 26, 2011
Theoretical prediction of the spin-spin coupling constants between an axis and macrocycle of a rotaxaneAnna Pikulska, Małgorzata Kauch, Magdalena Pecul
The Journal of Chemical Physics|July 12, 2012
A comparison of two-component and four-component approaches for calculations of spin-spin coupling constants and NMR shielding constants of transition metal cyanidesArtur Wodyński, Michal Repiský, Magdalena Pecul
The Journal of Physical Chemistry. A|September 22, 2022
Vibrational Corrections to NMR Spin-Spin Coupling Constants from Relativistic Four-Component DFT CalculationsKatarzyna Jakubowska, Magdalena Pecul, Kenneth Ruud
Journal of Chemical Theory and Computation|November 20, 2015
The Influence of a Presence of a Heavy Atom on (13)C Shielding Constants in Organomercury Compounds and Halogen DerivativesArtur Wodyński, Adam Gryff-Keller, Magdalena Pecul
The Journal of Physical Chemistry. A|May 14, 2016
The Relativistic Effects on the Carbon-Carbon Coupling Constants Mediated by a Heavy AtomArtur Wodyński, Olga L Malkina, Magdalena Pecul
Magnetic Resonance in Chemistry : MRC|April 1, 2011
DFT calculations of 31P spin-spin coupling constants and chemical shift in dioxaphosphorinanesMagdalena Pecul, Mateusz Urbańczyk, Artur Wodyński, et al.
The Journal of Chemical Physics|January 14, 2012
A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basisMałgorzata Olejniczak, Radovan Bast, Trond Saue, et al.
The Journal of Chemical Physics|August 5, 2004
Electric field effects on the shielding constants of noble gases: a four-component relativistic Hartree-Fock studyMagdalena Pecul, Trond Saue, Kenneth Ruud, et al.
The Journal of Chemical Physics|July 8, 2008
Theoretical investigation on the linear and nonlinear susceptibilities of urea crystalMałgorzata Olejniczak, Magdalena Pecul, Benoît Champagne, et al.
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