Role of symmetry restrictions on valence electron binding energies of CF4

1980 ◽  
Vol 72 (4) ◽  
pp. 2587-2590 ◽  
Author(s):  
Jiri Müller ◽  
Enrique Poulain ◽  
Osvaldo Goscinski ◽  
Leif Karlsson
Keyword(s):  
Valence Electron ◽  
Binding Energies ◽  
Electron Binding Energies ◽  
Electron Binding

A theoretical investigation of electron relaxation accompanying core ionization in the symmetry forms of ethylene

1982 ◽  
Vol 47 (12) ◽  
pp. 3371-3374
Author(s):  
Tomáš Ficker
Keyword(s):  
Ab Initio ◽  
Theoretical Investigation ◽  
Valence Electron ◽  
Binding Energies ◽  
Core Electron ◽  
The Core ◽  
Electron Relaxation ◽  
Electron Binding Energies ◽  
Electron Binding

Relaxation energies accompanying core ionization in the planar and twisted form of the C2H4 molecule have been computed in terms of single orbital contributions by means of the ab initio SCF techniques. It is shown that the 2 eV shift between the core electron binding energies of both symmetry conformers may be attributed to changes in the π-valence electron relaxation when going from the planar to the twisted form of C2H4.

Microsolvation effects on the electron binding energies of halide anions

2013 ◽  
Vol 112 (3-4) ◽  
pp. 332-339 ◽  
Author(s):  
O. Dolgounitcheva ◽  
V.G. Zakrzewski ◽  
L. Streit ◽  
J.V. Ortiz
Keyword(s):  
Binding Energies ◽  
Halide Anions ◽  
Electron Binding Energies ◽  
Electron Binding
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