NMR shielding constants of CuX, AgX, and AuX (X = F, Cl, Br, and I) investigated by density functional theory based on the Douglas-Kroll-Hess Hamiltonian

von Yoshizawa, Terutaka
Veröffentlicht in: Journal of computational chemistry (2013)

Relativistic and electron-correlation effects on magnetizabilities investigated by the Douglas-Kroll-Hess method and the second-order Møller-Plesset perturbation theory

von Yoshizawa, Terutaka
Veröffentlicht in: Journal of computational chemistry (2009)

Calculations of frequency-dependent molecular magnetizabilities with quasi-relativistic time-dependent generalized unrestricted Hartree-Fock method

von Yoshizawa, Terutaka
Veröffentlicht in: Journal of computational chemistry (2007)