The Exchange Charge Shell Model Analysis of Strain Derivatives of Static Polarizability and Effective Charge Parameter of Alkali Halides

1978 ◽  
Vol 89 (1) ◽  
pp. 213-219 ◽  
Author(s):  
V. C. Jain ◽  
J. Shanker
Keyword(s):  
Shell Model ◽  
Effective Charge ◽  
Alkali Halides ◽  
Model Analysis ◽  
Static Polarizability ◽  
Charge Parameter ◽  
Derivatives Of

Effect of the exchange charge polarization on the photoelastic behaviour of diatomic crystals

1977 ◽  
Vol 55 (17) ◽  
pp. 1510-1511 ◽  
Author(s):  
J. C. Sharma ◽  
H. P. Sharma ◽  
Jai Shanker
Keyword(s):  
Experimental Data ◽  
Shell Model ◽  
Alkali Halides ◽  
Dielectric Constants ◽  
Charge Polarization ◽  
Derivatives Of ◽  
Photoelastic Behaviour

An analysis of the photoelastic behaviour of diatomic crystals is presented on the basis of the shell model including the effect of exchange charge polarizations. The strain derivatives of the electronic polarizabilities and dielectric constants calculated for alkali halides, MgO, ZnS, and CdS crystals compare well with the available experimental data.

Syntheses, geometry optimization, and electronic structure of N-and C-substituted benzonaphthyridines

2006 ◽  
Vol 60 (1) ◽  
Author(s):  
M. Deska ◽  
W. Śliwa
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
13C Nmr ◽  
Effective Charge ◽  
Nmr Spectra ◽  
Geometry Optimization ◽  
13C Nmr Spectra ◽  
Derivatives Of ◽  
Hydroxyethyl Group

AbstractSynthesis of N-and C-substituted derivatives of benzo[h][1,6]naphthyridine, bearing 2-hydroxyethyl group has been made by quaternization reaction and by condensation of corresponding methylbenzonaphthyridines with formaldehyde. For six derivatives of isomeric benzo[c][1,5]-, benzo[h][1,6]-, and benzo[f][1,7]naphthyridines the 13C NMR spectra are discussed.For ten compounds the geometry was optimized with the AM1 and, in one case also with the ab initio 6–31G method; their effective charge values have also been calculated.

scholarly journals Shell model analysis of theNi56spectrum in the fullpfmodel space

2006 ◽  
Vol 73 (6) ◽  
Author(s):  
M. Horoi ◽  
B. A. Brown ◽  
T. Otsuka ◽  
M. Honma ◽  
T. Mizusaki
Keyword(s):  
Shell Model ◽  
Model Analysis
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