Ab initio quantum chemical studies of electric field gradients in the hydrogen bonded molecular nitrogen-hydrogen fluoride and molecular nitrogen-hydrogen chloride complexes

1985 ◽  
Vol 89 (11) ◽  
pp. 2151-2155 ◽  
Author(s):  
Peter L. Cummins ◽  
George B. Bacskay ◽  
Noel S. Hush
Keyword(s):  
Electric Field ◽  
Ab Initio ◽  
Hydrogen Fluoride ◽  
Quantum Chemical ◽  
Molecular Nitrogen ◽  
Electric Field Gradients ◽  
Chloride Complexes ◽  
Field Gradients ◽  
Chemical Studies ◽  
Quantum Chemical Studies

Cluster Models for Calcite Surfaces:  Ab Initio Quantum Chemical Studies

1999 ◽  
Vol 103 (32) ◽  
pp. 6734-6740 ◽  
Author(s):  
Henna Ruuska ◽  
Pipsa Hirva ◽  
Tapani A. Pakkanen
Keyword(s):  
Ab Initio ◽  
Quantum Chemical ◽  
Cluster Models ◽  
Chemical Studies ◽  
Quantum Chemical Studies

Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3

2009 ◽  
Vol 479 (1-2) ◽  
pp. 56-59 ◽  
Author(s):  
P. Wodniecki ◽  
A. Kulińska ◽  
B. Wodniecka ◽  
J. Belošević-Čavor ◽  
V. Koteski
Keyword(s):  
Electric Field ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Electric Field Gradients ◽  
Field Gradients
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