Calculations of the magnetic shielding constants of heavy nuclei in polyatomic molecules

1977 ◽  
Vol 12 (1) ◽  
pp. 93-103 ◽  
Author(s):  
P. Lazzeretti ◽  
R. Zanasi
Keyword(s):  
Polyatomic Molecules ◽  
Magnetic Shielding ◽  
Heavy Nuclei ◽  
Shielding Constants

scholarly journals Chemical-shift tensors of heavy nuclei in network solids: a DFT/ZORA investigation of 207Pb chemical-shift tensors using the bond-valence method

2015 ◽  
Vol 17 (38) ◽  
pp. 25014-25026 ◽  
Author(s):  
Fahri Alkan ◽  
C. Dybowski
Keyword(s):  
Chemical Shift ◽  
Quantum Chemistry ◽  
Principal Components ◽  
Bond Valence ◽  
Cluster Models ◽  
Magnetic Shielding ◽  
Heavy Nuclei ◽  
Chemical Shift Tensors ◽  
Accurate Computation ◽  
Bond Valence Model

Accurate computation of 207Pb magnetic shielding principal components is within the reach of quantum chemistry methods by employing relativistic ZORA/DFT and cluster models adapted from the bond valence model.

Theoretical studies of heavy‐atom magnetic shielding in some small polyatomic molecules

1974 ◽  
Vol 60 (7) ◽  
pp. 2574-2583 ◽  
Author(s):  
B. R. Appleman ◽  
T. Tokuhiro ◽  
G. Fraenkel ◽  
C. W. Kern
Keyword(s):  
Heavy Atom ◽  
Polyatomic Molecules ◽  
Magnetic Shielding ◽  
Theoretical Studies
Sign in / Sign up

Export Citation Format

Share Document