Hartree-Fock cluster investigations of electronic structure and nuclear quadrupole interaction in the superionic conductor Li3N

1987 ◽  
Vol 34 (1-4) ◽  
pp. 289-292 ◽  
Author(s):  
P. C. Kelires ◽  
K. C. Mishra ◽  
T. P. Das
Keyword(s):  
Electronic Structure ◽  
Quadrupole Interaction ◽  
Nuclear Quadrupole Interaction ◽  
Superionic Conductor ◽  
Hartree Fock ◽  
Nuclear Quadrupole

Theoretical Investigation on the Nuclear Quadrupole Interaction of CH3Cl, CH2Cl2 and CHCl3

1994 ◽  
Vol 49 (1-2) ◽  
pp. 116-124 ◽  
Author(s):  
Gerald Frantz ◽  
Hagen Dufner ◽  
P.C. Schmidt
Keyword(s):  
Crystal Field ◽  
Quadrupole Interaction ◽  
Quadrupole Coupling Constant ◽  
Nuclear Quadrupole Interaction ◽  
Coupling Constant ◽  
Cluster Approach ◽  
Hartree Fock ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The nuclear quadrupole interaction of 35Cl in CH3Cl, CH2Cl2 and CHCl3 has been studied theoretically by the Hartree-Fock-Roothaan procedure. The influence of the crystal field on the nuclear quadrupole coupling constant is incorporated by the cluster approach and by using point charges that are consistent with the external potential.

51V ESE-ENDOR Studies of Oxovanadium(IV) Complexes:  Investigation of the Nuclear Quadrupole Interaction

1998 ◽  
Vol 102 (42) ◽  
pp. 8145-8150 ◽  
Author(s):  
Christopher V. Grant ◽  
James A. Ball ◽  
Brent J. Hamstra ◽  
Vincent L. Pecoraro ◽  
R. David Britt
Keyword(s):  
Quadrupole Interaction ◽  
Nuclear Quadrupole Interaction ◽  
Nuclear Quadrupole

Nuclear quadrupole interaction at99Tc in molybdenum compounds

1983 ◽  
Vol 16 (1-4) ◽  
pp. 915-920 ◽  
Author(s):  
T. Butz ◽  
A. Lerf ◽  
C. Vogdt ◽  
A. M. M. Eid
Keyword(s):  
Quadrupole Interaction ◽  
Nuclear Quadrupole Interaction ◽  
Nuclear Quadrupole

The Experimental Nuclear Quadrupole Interaction in Synthetic Al-Goethites of Varying Crystallinity

2003 ◽  
Vol 148/149 (1-4) ◽  
pp. 337-344 ◽  
Author(s):  
C. A. Barrero ◽  
R. E. Vandenberghe ◽  
E. De Grave ◽  
A. L. Morales ◽  
G. Pérez
Keyword(s):  
Quadrupole Interaction ◽  
Nuclear Quadrupole Interaction ◽  
Nuclear Quadrupole
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