𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Vibrational spectrum of p-fluoroanisole in the first excited state (S1) and ab initio calculations

✍ Scribed by Daoqing Xiao; Dan Yu; Xiling Xu; Zijun Yu; Yikui Du; Zhen Gao; Qihe Zhu; Cunhao Zhang


Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
190 KB
Volume
882
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


An ab initio study of the ground and fir
✍ B. Gazdy; D.G. Musaev; J.M. Bowman; K. Morokuma πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 397 KB

We report ab initio calculations of the minima and transition states of the HCN ~ HNC isomerization in the X(P~) and A(/~') electronic states, and the A-X transition moment in the neighborhood of the HNC isomer. The HNC(A) potential is fit to a fourth-order Simons-Parr-Finlan force field, and the nu