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NSR database version of May 10, 2024.

Search: Author = M.Repisky

Found 3 matches.

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2020AN20      Phys.Chem.Chem.Phys. 22, 7065 (2020)

A.Antusek, M.Repisky

NMR absolute shielding scales and nuclear magnetic dipole moments of transition metal nuclei

NUCLEAR MOMENTS 47,49Ti, 50,51V, 53Cr, 55Mn, 57Fe, 59Co, 61Ni, 63,65Cu, 67Zn, 91Zr, 93Nb, 95,97Mo, 99Tc, 99,101Ru, 103Rh, 105Pd, 107,109Ag, 111,113Cd, 181Ta, 183W, 185,187Re, 187,189Os, 195Pt, 199Hg, 201Hg; calculated NMR shielding constants for transition metal complexes using non-relativistic coupled cluster theory and a four-component relativistic DFT method incorporating substantial correlation and relativistic effects; deduced accurate nuclear magnetic dipole moments for NMR-active transition metal nuclei where the long-standing systematic error due to obsolete diamagnetic correction has been eliminated by ab initio calculations of absolute NMR shielding constants. Comparison with available data.

doi: 10.1039/d0cp00115e
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2018AN15      Phys.Rev. A 98, 052509 (2018)

A.Antusek, M.Repisky, M.Jaszunski, K.Jackowski, W.Makulski, M.Misiak

Nuclear magnetic dipole moment of 209Bi from NMR experiments

NUCLEAR MOMENTS 209Bi; analyzed available data on frequency ratios; deduced magnetic dipole moment. Comparison with available data.

doi: 10.1103/PhysRevA.98.052509
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2013JA17      J.Chem.Phys. 139, 234202 (2013)

M.Jaszunski, M.Repisky, T.B.Demissie, S.Komorovsky, E.Malkin, K.Ruud, P.Garbacz, K.Jackowski, W.Makulski

Spin-rotation and NMR shielding constants in HCl

doi: 10.1063/1.4840295
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