Calculations of magnetic properties. II. Electron‐correlated nuclear shielding constants for nine small molecules

1993 ◽  
Vol 98 (10) ◽  
pp. 8057-8064 ◽  
Author(s):  
Sl/awomir M. Cybulski ◽  
David M. Bishop
Keyword(s):  
Magnetic Properties ◽  
Small Molecules ◽  
Shielding Constants ◽  
Nuclear Shielding

scholarly journals An Estimate of Mean Diamagnetic Properties

1970 ◽  
Vol 25 (3) ◽  
pp. 454-455
Author(s):  
B. M. Ludwig ◽  
J. Voitländer
Keyword(s):  
Density Matrix ◽  
Diamagnetic Susceptibility ◽  
Mean Values ◽  
Gaussian Functions ◽  
Shielding Constants ◽  
Nuclear Shielding ◽  
The Mean

Approximate closed expressions for the mean values of nuclear shielding constants and the diamagnetic susceptibility of 1Σ molecules are given which apply if a density matrix constructed over a set of pure Gaussian functions, is known

Magnetizability and nuclear shielding constants of solvated water

1996 ◽  
Vol 253 (5-6) ◽  
pp. 443-447 ◽  
Author(s):  
Kurt V. Mikkelsen ◽  
Kenneth Ruud ◽  
Trygve Helgaker
Keyword(s):  
Shielding Constants ◽  
Nuclear Shielding
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