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Application of multiquantum ionization to measuring the ionization potentials of atoms and molecules of substances in the gas phase

✍ Scribed by Yu. V. Anishchenko

Book ID
110620893
Publisher
Springer US
Year
1997
Tongue
English
Weight
174 KB
Volume
64
Category
Article
ISSN
0021-9037

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πŸ“œ SIMILAR VOLUMES

Application of the PPP method to the cal
Application of the PPP method to the calculation of ionization potentials and electron affinities of conjugated organic molecules
✍ 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