𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the changes in the electronic structure of benzonitrile accompanying its conversion into a radical anion

✍ Scribed by Yordanka Dimitrova


Book ID
113258783
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
337 KB
Volume
362
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A theoretical study of the geometry and
✍ Manuel Cantos; Manuela MerchΓ‘n; Francisco TomΓ‘s-Vert; BjΓΆrn O. Roos πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 995 KB

Dioxirane, dioxymethane, and the dioxymethane anion have been studied using multiconfigurational SCF and second-order perturbation theory (CASSCF/CASPTZ). The equilibrium geometries of the three systems have been determined for the lowest electronic states. The lowest excited state in dioxirane was