𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The reactive excited state of naphthvalene and its photochemistry: a qualitative and quantitative theoretical investigation

✍ Scribed by E.Amitai Halevi; Walter Thiel

Publisher
Elsevier Science
Year
1985
Weight
685 KB
Volume
28
Category
Article
ISSN
0047-2670

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

A theoretical investigation of the excit
A theoretical investigation of the excited states of OCLO radical, cation, and anion using the CASSCF/CASPT2 method
✍ Zi-Zhang Wei; Bu-Tong Li; Hong-Xing Zhang; Chia-Chung Sun; Ke-Li Han πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 233 KB

## Abstract Using the complete active space self‐consistent field method with a large atomic natural orbital basis set, 10, 13, and 9 electronic states of the OClO radical, OClO^+^ cation, and OClO^βˆ’^ anion were calculated, respectively. Taking the further correlation effects into account, the seco