The electronic structure of ionized molecules
- 1 January 1965
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 9 (2) , 101-115
- https://doi.org/10.1080/00268976500100131
Abstract
The ionization of linear and branched alkanes and cyclanes has been studied by the semi-empirical EO method developed by Hall and Lennard-Jones. Three improvements have been introduced: The calculated ionization energies are in good agreement with the available experimental values. Finally, the relation between the net positive charge on the different bonds of the ion and its dissociation pattern has been clarified.Keywords
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