𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quasiclassical trajectories study on the two-dimensional model of the dissociative chemisorption of H2 on a lithium cluster surface

✍ Scribed by J. Vojtík; J. Šavrda; J. Fišer

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
505 KB
Volume
97
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

A two-dimensional Hz-L& potentid surface of "diatomics-in-molecules'* quslity is constructed snd used in 1 quGcLs-sin1 trajectory model study of dissociative adsorption of Hz on the chtsrcr surface. The effect of the tnnsl;ltion;rl and vibrational rnegy of Hz on the outcome of the collision with the surface is discussed.

📜 SIMILAR VOLUMES

Quasi-classical trajectories study of th
Quasi-classical trajectories study of the chemisorption of H2 on the Pt(111) surface: effect of surface motion
✍ Gian Franco Tantardini; Massimo Simonetta 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 449 KB

The efftxt of energy ewhangr on the dynamrcs of the chemisorphon of X2 on Pt(lf 1) is studied withm a LEPS poten-t~4 quauchssicat trajecrorles treatment. The Elnstem model IS assumed for the solid. The rigidrly of the surfaces LS shown to bs an axcprable appro\hnrruon

Quasiclassical dynamical study of the re
Quasiclassical dynamical study of the reaction O(1D)+HD(1Σ+)→OD/OH(2Π)+H/D(2S) on a two-valued potential energy surface
✍ Lawrence J. Dunne 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 412 KB

## Quasiclassical trajectory calculations have been carried out for the reaction 0( 'D) +HD( 'Z\* )4OD/OH (%I) +H/D('S) using a two-valued potential energy surface derived by Murrell, Carter, Mills and Guest. The OD/OH branching ratio on this multivalued surface at 300 K is close to 2, and experim

Shape resonance energies in the Xα scatt
Shape resonance energies in the Xα scattered-wave cluster model. A study of CO and N2 adsorbed on Ni surfaces
✍ A. Schichl; D. Menzel; N. Rōsch 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 464 KB

XO~ scattered-wave calculations have been performed to compare the photon energy dependence of rhe valence level photoionization CIOSS sections of molecular CO and N2 and of Ni clusters simulatmg the adsorption of these molecules in the range of the shape resonances. Care has to be taken to avoid mu