A surface hopping quasiclassical trajectory study of the H2+ + H2 and (H2 + D2)+ systems
β Scribed by Charles W. Eaker; George C. Schatz
- Book ID
- 118319201
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 328 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The collision induced dissociation of H, by H atoms was studied by quasiclassical trajectories using the Liu-Siegbahn-Truhlar-Horowitz potential energy surface. Dissociation cross sections were obtained for five highly internally excited initial states of H, for translational energies up to 100 kcal
QuasicL~asiccll tmjcctor> c.dlculatiom for the II + Hz reaction xtiirh vibr~tton.dly evzired molecules haxe been carried out on the Porter-K.!rpIus (PI;) .md the nccur.~te Sie~bnhn-Liu-TnthlJr-lforo~~itz GLTH) potential surfaces. Agreement Bith other cakulations for the PK wrfxr IS good\_ The vIbrat