𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Computational study toward understanding the photodissociation mechanism of sarin

✍ Scribed by Cai-Xia Xu; Guo-Min Zuo; Zhen-Xing Cheng; Juan Han


Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
241 KB
Volume
111
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio studies for the photodissociat
✍ Yong Wu; Daiqian Xie; Ying Xue πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 171 KB

The reaction pathways for CH(3)COCH(2)OH (hydroxyacetone) photodissociation on the low-lying electronic states have been studied with use of the CASSCF energy gradient techniques. The S(0)/S(1) and S(1)/T(1) intersection points were determined by the state-average CASSCF method. Two main reaction pa