Results 271 to 280 of about 3,070,377 (288)

Perturbative Treatment of Triple Excitations in Coupled‐Cluster Calculations of Nuclear Magnetic Shielding Constants

Journal of Chemical Physics, 1996
John F Stanton, Jürgen Gauß
exaly  

Nuclear Magnetic Shielding in Alkali Halide Crystals

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

Calculations of Atomic Magnetic Nuclear Shielding Constants Based on the Two-Component Normalized Elimination of the Small Component Method

Journal of Chemical Physics, 2017
Terutaka Yoshizawa, Wenli Zou, Dieter Cremer   +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 Resonance Studies of 1H in Zirconium Halide Hydrides: Shielding Tensors

Journal of Chemical Physics, 1979
B C Gerstein, P Dubois Murphy
exaly  

Relativistic Effects on the Nuclear Magnetic Shieldings of Rare-Gas Atoms and Halogen in Hydrogen Halides Within Relativistic Polarization Propagator Theory

Journal of Chemical Physics, 2005
Gustavo A. Aucar, Alejandro F Maldonado, Sergio S Gomez   +2 more
exaly  

Calculation of Nuclear Magnetic Shieldings. X. Relativistic Effects

Journal of Chemical Physics, 1996
Hiroyuki/ Fukui/
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 Moments From NMR Spectra—Experimental Gas Phase Studies and Nuclear Shielding Calculations

Concepts in Magnetic Resonance Part A: Bridging Education and Research, 2007
Karol Jackowski, Michał Jaszuński
exaly  

The Fe57 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