𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical studies of the potential surface for the F+H2→HF+H reaction

✍ Scribed by Bauschlicher, Charles W.; Walch, Stephen P.; Langhoff, Stephen R.; Taylor, Peter R.; Jaffe, Richard L.

Book ID
125861414
Publisher
American Institute of Physics
Year
1988
Tongue
English
Weight
998 KB
Volume
88
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Classical dynamics calculations for the
Classical dynamics calculations for the F+H2→HF+H reaction on two recent potential energy surfaces
✍ F.J. Aoiz; L. Ban˜ares; V.J. Herrero; V. Sa´ez Ra´banos 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 936 KB

State-resolved integral and differential cross sections have been calculated for the F+ H2 ( v= 0 ) +HF+ H reaction by using the method of quasiclassical trajectories (QCT). The trajectories were run on the two latest versions (SSEC and 6SEC) of a partly ab initio potential energy surface. Dynamical

A full-CI study of the energetics of the
A full-CI study of the energetics of the reaction F + H2 → HF+H
✍ Peter J. Knowles; Klaus Stark; Hans-Joachim Werner 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 536 KB

Benchmark full configuration interactlon calculations are reported for the barrier and exothermicity of the reaction FtH\*+HFt H. All nine valence electrons are correlated in a triple zetat polarization basis set. The FCI barrier height is very close to that obtained using large scale multireference