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Second ionization potentials and electron affinities of complex conjugated systems

✍ Scribed by E. Ya. Bolycheva


Book ID
112362909
Publisher
Springer
Year
1974
Tongue
English
Weight
290 KB
Volume
10
Category
Article
ISSN
0040-5760

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Application of the PPP method to the cal
✍ R. G. Selsby; Philip Pennance; K. I. Barnhard πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 384 KB

## Abstract By making the atomic effective charge self‐consistent with the molecular charge density, it is shown that the PPP method can accurately predict the ionization potential and electron affinity computed as an energy difference of separately minimized ground and ionized states. The calculat