Mode selectivity in cluster-molecule interactions: Ni13 + D2
Abstract
Results of a detailed quasiclassical simulation study of the Ni sub 13 + D sub 2 collision system are presented. The dissociative adsorption of the molecule as well as its scattering from the cluster are analyzed as functions of the initial rovibrational molecular state, collision energy, and structure of the cluster. Mode-specific features of the reactive and nonreactive channels of the cluster-molecule interaction are displayed and discussed. Evidence for resonances and for a strong cluster structure-reactivity correlation is presented.
- Publication:
-
Presented at the 24th Jerusalem Symposium on Quantum Chemistry
- Pub Date:
- 1991
- Bibcode:
- 1991quch.symp...20J
- Keywords:
-
- Atomic Collisions;
- Deuterium;
- Dissociation;
- Molecular Collisions;
- Molecular Structure;
- Nickel;
- Chemisorption;
- Correlation;
- Reactivity;
- Simulation;
- Atomic and Molecular Physics