| Autor: |
Malinovskaya, S. A., Cabrera-Trujillo, R., Sabin, John. R., Deumens, E., Öhrn, Y. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 7/15/2002, Vol. 117 Issue 3, p1103, 6p, 1 Diagram, 1 Chart, 5 Graphs |
| Abstrakt: |
Collisions of protons with ground state acetylene molecules at 30 eV are studied using the electron nuclear dynamics (END) theory. This time-dependent methodology for the study of molecular processes is a nonadiabatic approach to direct dynamics, which has been successfully applied to ion-atom and ion-molecule reactive collisions. Using the minimal END theory, we calculate the direct and charge-transfer differential cross sections. Different initial conditions lead to diverse product channels, such as charge transfer, proton exchange, and collision induced dissociation. Projectile energy loss is analyzed in terms of transfer into target electronic, translational, and rovibrational excitations. The comparison of the computed results with time-of-flight measurements is discussed. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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