𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Predominance of Nonequilibrium Dynamics in the Photodissociation of Ketene in the Triplet State †

✍ Scribed by Kaledin, Alexey L.; Seong, Jeonghee; Morokuma, Keiji


Book ID
127105137
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
151 KB
Volume
105
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


A direct DFT dynamics study of the photo
✍ M.Natália D.S. Cordeiro; Emilio Martı́nez-Núñez; Antonio Fernández-Ramos; Saulo 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 206 KB

Photodissociation of acetaldehyde at 308 nm via the radical CH 3 + HCO channel has been studied on the triplet state surface by DFT classical trajectory calculations using the B3LYP/6-31G\* electronic structure method. A rotational analysis of product HCO predicts a non-Boltzmann distribution and th