𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the potential surface dependence of the H + F2 reaction. I. Quantum mechanical and information theoretic investigations for various extended LEPS-surfaces

✍ Scribed by Werner Jakubetz


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
986 KB
Volume
35
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A more accurate potential energy surface
✍ Steven L. Mielke; Gillian C. Lynch; Donald G. Truhlar; David W. Schwenke πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 592 KB

A new potential energy surface (called 6SEC) obtained by iterative refinement of the previously published SSEC surface is presented. The new surface was obtained using accurate threedimensional quantum mechanical scattering calculations to test the effects of various modifications of the SSEC surfac

Comment ON β€œA modified LEPS potential en
✍ F.E. Budenholzer; D.C. Jeng πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 319 KB

mass velocity flux contour maps are calculated from quasiclassical trajectory results for the F + H2 reaction at a relative translation energy of 3.0 kcal/mol. Results using a modified LEPS surface (T. Takayanagi and S. Sato, Chem. Phys. Letters 144 ( 1988) 191) and the number five surface of Mucker

A comprehensive theoretical study on the
✍ Yi Ren; San-Yan Chu πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 244 KB

Gas phase identity ion pair S N 2 reactions at nitrogen LiX + NH 2 X ! XNH 2 + LiX (X ΒΌ F, Cl, Br and I) are investigated at the G2M(+) level. Two reaction mechanisms, inversion and retention, are proposed. Results indicate the inversion mechanism is favorable for all halogens. Including Li in the a