Résumé
The standard INDO method has been used to calculate the electron spin density distribution and isotropic Fermi contact hyperfine coupling in the radicals CO+, CO2 -, and O2 -. Bond lengths and angle (for CO2 -) have been varied over a reasonable range. Geometrical effects are found to have a relatively small influence on the calculated values which do agree closely with the experimental data. © 1975.
langue originale | Anglais |
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Pages (de - à) | 322-327 |
Nombre de pages | 6 |
journal | Chem. Phys. Lett. |
Volume | 36 |
Numéro de publication | 3 |
Les DOIs | |
Etat de la publication | Publié - 15 nov. 1975 |