The E.S.R. spectrum of the tropolonyl radical |
| |
| Authors: | William T. Dixon Wendy E.J. Foster D. Murphy |
| |
| Affiliation: | Department of Chemistry , Bedford College , Regent's Park, London, NW1 4NS |
| |
| Abstract: | ![]()
The many-body diagrammatic Rayleigh-Schrödinger perturbation theory (RSPT) is used for the calculation of ionization potentials of open-shell systems with one unpaired electron. This theoretical approach is tested on the simple examples of NO2 and NF2 molecules described by the INDO semi-empirical hamiltonian. The first- and second-order results are presented. |
| |
| Keywords: | |
|
|
