Results 281 to 290 of about 12,151 (297)

The 57Fe nuclear magnetic resonance shielding in ferrocene revisited. A density-functional study of orbital energies, shielding mechanisms, and the influence of the exchange-correlation functional

Journal of Chemical Physics, 1999
Georg Schreckenbach
exaly  

Natural chemical shielding analysis of nuclear magnetic resonance shielding tensors from gauge-including atomic orbital calculations

Journal of Chemical Physics, 1997
Frank Weinhold, Thomas C Farrar, Weinhold Frank   +2 more
exaly  

Polarization nuclear magnetic shielding in an electric field

Theoretical and Experimental Chemistry, 1984
M. I. Volodicheva, T. K. Rebane
openaire   +1 more source

Nuclear magnetic shielding constants of liquid water: Insights from hybrid quantum mechanics/molecular mechanics models

Journal of Chemical Physics, 2007
Jacob Kongsted, Christian B Nielsen, Kurt V Mikkelsen   +2 more
exaly  

Rovibrationally averaged nuclear magnetic shielding tensors calculated at the coupled‐cluster level

Journal of Chemical Physics, 1996
Dage Sundholm, Jürgen Gaus, Ansgar Schafer   +2 more
exaly  

The 17O nuclear magnetic shielding scale from gas-phase measurements

Journal of Molecular Structure, 2003
Włodzimierz Makulski, Karol Jackowski
exaly  

Proximity effects on the nuclear magnetic shielding tensor

Journal of Molecular Structure: THEOCHEM, 1993
Julio C. Facelli, Ruben H. Contreras, Maria F. Tufró   +2 more
openaire   +1 more source

Nuclear magnetic shielding constants of Dirac one-electron atoms in some low-lying discrete energy eigenstates

Atomic Data and Nuclear Data Tables, 2018
Patrycja Stefańska
exaly  

Nuclear Magnetic Shielding in Alkali Halide Crystals

Physical Review, 1965
Dennis Ikenberry, T. P. Das
openaire   +1 more source

The nuclear magnetic shielding as a function of internuclear separation

Journal of Chemical Physics, 1993
Cynthia J Jameson, Angel C de Dios, Jameson Cynthia J   +2 more
exaly