A systematic study of the ionization potentials and electron, proton, hydrogen, and hydride affinities of OHn molecules and ions
β Scribed by Kari, Roy E.; Csizmadia, Imre G.
- Book ID
- 126910949
- Publisher
- American Chemical Society
- Year
- 1977
- Tongue
- English
- Weight
- 676 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
Ab initio many-body calculations according to Cederbaum's outer-valence Green-function formalism have been carried out on the ionization potentials of bicyclo[4.l.O]hepta-1,3,5-triene, bicycIo[ 4.2.0]octa-1,3,5-triene, tricyclo[ 5.1.0.03,5]octa-1,3(5),6triene, tricyclo[ 6.2.0.03,6]deca-1,3(6),7-trie
In this paper, we discuss the validity of our earlier derivation of a theory of molecular electron aftinities and ionization potentials\_ We show how one can improve upon our original derivation, which was not entirely consistent. by iteratively calculating both the ion and neutral molecule wavefun
## Abstract Closedβshell SCF calculations on the ground states and direct SCF calculations on the ionized doublet states were carried out for a series of tenβelectron hydrides. The correlation of ionization potentials with the degree of protonation and the nuclear charge has been studied for hole s