A theoretical study of the adiabatic and vertical ionization potentials of water

2018 ◽  
Vol 148 (23) ◽  
pp. 234308 ◽  
Author(s):  
David Feller ◽  
Ernest R. Davidson
Keyword(s):  
Theoretical Study ◽  
Ionization Potentials ◽  
Vertical Ionization Potentials

SCF MO CI perturbation calculations of inner shell and valence shell vertical ionization potentials

1978 ◽  
Vol 48 (1) ◽  
pp. 47-57 ◽  
Author(s):  
Hans-Lothar Hase ◽  
G�nther Lauer ◽  
Karl-Wilhelm Schulte ◽  
Armin Schweig
Keyword(s):  
Ionization Potentials ◽  
Valence Shell ◽  
Vertical Ionization Potentials

Vertical Ionization Potentials of Alkoxides in Solution

1994 ◽  
Vol 67 (2) ◽  
pp. 360-362 ◽  
Author(s):  
Kanna Sakai ◽  
Iwao Watanabe ◽  
Yu Yokoyama
Keyword(s):  
Ionization Potentials ◽  
Vertical Ionization Potentials

FREE RADICALS BY MASS SPECTROMETRY: X. THE IONIZATION POTENTIALS OF METHYL SUBSTITUTED ALLYL RADICALS

1956 ◽  
Vol 34 (3) ◽  
pp. 345-353 ◽  
Author(s):  
C. A. McDowell ◽  
F. P. Lossing ◽  
I. H. S. Henderson ◽  
J. B. Farmer
Keyword(s):  
Mass Spectrometry ◽  
Free Radicals ◽  
Electron Impact ◽  
Heat Of Formation ◽  
Ionization Potentials ◽  
Bond Dissociation Energies ◽  
Allyl Radical ◽  
Dissociation Energies ◽  
Allyl Halides ◽  
Vertical Ionization Potentials

The vertical ionization potentials of the β- and γ-methyl substituted allyl radicals as measured by electron impact are 8.03 ± 0.05 v. and 7.71 ± 0.05 v, respectively. From appearance potential data the following bond dissociation energies can be derived, assuming the dissociation processes to be free from complications:[Formula: see text]With assumptions about the structure of the ions produced by electron impact from the corresponding butenes the dissociation energies of the C4H7—H bonds in these latter compounds can be estimated, and the heats of formation of the corresponding radicals derived, namely:[Formula: see text]From data on the allyl halides we evaluate the heat of formation of the allyl radical to be:[Formula: see text]

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