✦ LIBER ✦
Semi-empirical computation of zero-field splittings in ground state triplet molecules: Nitrenobenzene and 9-nitrenoanthracene
✍ Scribed by R. Alvarado; J.-Ph. Grivet; C. Mijoule
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 292 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Rcceivlzd 30 bloy 1975
The clcctronic spectra of the two title compounds arc computed in the CND0j.S app:oximation. The zero-field splittings arc dclived. They ;~rc govcrncd by the spin-orbit coupling with a close lying singlet State.