• NMR absolute shielding scale and nuclear magnetic dipole moment of 207 Pb 

      Adrjan, Bożena; Makulski, Włodzimierz; Jackowski, Karol; Demissie, Taye Beyene; Ruud, Kenneth; Antušek, Andrej; Jaszuński, Michał (Journal article; Tidsskriftartikkel; Peer reviewed, 2016-05-24)
      An absolute shielding scale is proposed for <sup>207</sup>Pb nuclear magnetic resonance (NMR) spectroscopy. It is based on ab initio calculations performed on an isolated tetramethyllead Pb(CH<sub>3</sub>)<sub>4</sub> molecule and the assignment of the experimental resonance frequency from the gas-phase NMR spectra of Pb(CH<sub>3</sub>)<sub>4</sub>, extrapolated to zero density of the buffer gas to ...
    • Spin-rotation and NMR shielding constants in HCl 

      Jaszunski, Michal; Repisky, Michal; Demissie, Taye B.; Komorovsky, Stanislav; Malkin, Elena; Ruud, Kenneth; Garbacz, Piotr; Jackowski, Karol; Makulski, W (Journal article; Tidsskriftartikkel; Peer reviewed, 2013)
      The spin-rotation and nuclear magnetic shielding constants are analysed for both nuclei in the HCl molecule. Nonrelativistic ab initio calculations at the CCSD(T) level of approximation show that it is essential to include relativistic effects to obtain spin-rotation constants consistent with accurate experimental data. Our best estimates for the spin-rotation constants of 1H35Cl are CCl =−53.914 ...