Effect of perturbation of the atomic basis on nuclear magnetic shielding constants for small molecules

1989 ◽  
Vol 24 (5) ◽  
pp. 511-515 ◽  
Author(s):  
E. O. Voronkov ◽  
V. V. Kuz'menko ◽  
V. V. Rossikhin
Keyword(s):  
Small Molecules ◽  
Magnetic Shielding ◽  
Shielding Constants ◽  
Nuclear Magnetic

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

2007 ◽  
Vol 126 (3) ◽  
pp. 034510 ◽  
Author(s):  
Jacob Kongsted ◽  
Christian B. Nielsen ◽  
Kurt V. Mikkelsen ◽  
Ove Christiansen ◽  
Kenneth Ruud
Keyword(s):  
Quantum Mechanics ◽  
Molecular Mechanics ◽  
Liquid Water ◽  
Magnetic Shielding ◽  
Shielding Constants ◽  
Nuclear Magnetic

Atom-molecule interaction effects on nuclear magnetic shielding constants

1978 ◽  
Vol 35 (5) ◽  
pp. 1397-1403 ◽  
Author(s):  
Andrzej J. Sadlej ◽  
Matjaž Žaucer ◽  
Andrej Ažman
Keyword(s):  
Interaction Effects ◽  
Magnetic Shielding ◽  
Shielding Constants ◽  
Molecule Interaction ◽  
Nuclear Magnetic

Isotropie and Anisotropie Nuclear Magnetic Shielding of 113Cd in Cadmiumhalides, Cadmiumchalcogenides and in Cadmiumcarbonate

1978 ◽  
Vol 33 (6) ◽  
pp. 666-671 ◽  
Author(s):  
A. Nolle
Keyword(s):  
The Other ◽  
Magnetic Shielding ◽  
Axially Symmetric ◽  
Reference Scale ◽  
Cadmium Chalcogenides ◽  
Shielding Constants ◽  
Powder Samples ◽  
Shielding Tensor ◽  
Nmr Signals ◽  
Nuclear Magnetic

Abstract The NMR signals of 113Cd have been observed in powder samples of the cadmium halides CdF2, CdCl2, CdBr2· 4H2O, Cdl2, of the cadmium chalcogenides CdO, CdS, CdSe, CdTe and of CdCO3 . For 113Cd in CdCl2 , CdBr2-4H2O, CdS and in CdSe anisotropics of the nuclear magnetic shielding have been detected. The shielding tensor in these powders is axially symmetric. For the other specimens no anisotropics of the magnetic shielding have been found. The principal values of the magnetic shielding tensor and the shielding constants are given in an atomic reference scale.

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