Systematic computational study of the geometrical dependence of deuterium quadrupole interaction parameters in an O–2H⋯OC hydrogen bonded system

2000 ◽  
Vol 256 (2) ◽  
pp. 159-168 ◽  
Author(s):  
Giles W. Turner ◽  
Roy L. Johnston ◽  
Kenneth D.M. Harris
Keyword(s):  
Quadrupole Interaction ◽  
Computational Study ◽  
Interaction Parameters ◽  
Hydrogen Bonded

Absolute atomic charges in YBa2Cu3O7 lattice determined by analysis of the nuclear quadrupole interaction parameters

2017 ◽  
Vol 43 (4) ◽  
pp. 409-412 ◽  
Author(s):  
G. A. Bordovskii ◽  
E. I. Terukov ◽  
A. V. Marchenko ◽  
P. P. Seregin ◽  
A. V. Shaldenkova
Keyword(s):  
Quadrupole Interaction ◽  
Nuclear Quadrupole Interaction ◽  
Interaction Parameters ◽  
Atomic Charges ◽  
Nuclear Quadrupole
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