Modelling the Effect of Zero-Field Splitting on the 1H, 13C and 29Si Chemical Shifts of Lanthanide and Actinide Compounds - Lloyd, Austin W.; Moylan, Helen M.; McDouall, Joseph J. W. (Magnetochemistry, 2019)
Keywords: actinide complexes; Chemistry; Computation; Energy; Ground state; Heavy elements; hyperfine coupling tensors; Magnetic fields; NMR; Nuclear magnetic resonance; paramagnetic nmr; Physical chemistry; Quantum chemistry; relativistic quantum chemistry; spin-orbit coupling; Splitting; zero field splitting