The first ionization energy, electron affinity and electronegativity calculated by theX α method with ab initio self-consistent exchange parameter

1988 ◽  
Vol 64 (4) ◽  
pp. 405-416 ◽  
Author(s):  
R. Gáspár ◽  
Á. Nagy
Keyword(s):  
Ab Initio ◽  
Electron Affinity ◽  
Ionization Energy ◽  
Exchange Parameter ◽  
Energy Electron ◽  
Self Consistent

Calculation of Ionization Energy, Electron Affinity, and Hydride Affinity Trends in Pincer-Ligated d8-Ir(tBu4PXCXP) Complexes: Implications for the Thermodynamics of Oxidative H2 Addition

2014 ◽  
Vol 53 (23) ◽  
pp. 12348-12359 ◽  
Author(s):  
Abdulkader Baroudi ◽  
Ahmad El-Hellani ◽  
Ashfaq A. Bengali ◽  
Alan S. Goldman ◽  
Faraj Hasanayn
Keyword(s):  
Electron Affinity ◽  
Ionization Energy ◽  
Energy Electron ◽  
H2 Addition

Predicting the yield of ion pair formation in molecular electrical doping: redox-potentials versus ionization energy/electron affinity

2019 ◽  
Vol 7 (44) ◽  
pp. 13839-13848 ◽  
Author(s):  
Berthold Wegner ◽  
Lutz Grubert ◽  
Chercka Dennis ◽  
Andreas Opitz ◽  
Adriana Röttger ◽  
...  
Keyword(s):  
Solid State ◽  
Electron Affinity ◽  
Ionization Energy ◽  
Ion Pair ◽  
Pair Formation ◽  
Energy Electron ◽  
Redox Potentials ◽  
Ion Pair Formation ◽  
Molecular Semiconductors

Redox potentials of molecular semiconductors and dopants are useful for predicting ion pair formation yield, even in the solid state.

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