title: Energy transfer between azulene and krypton: comparison between experiment and computation.
abstract: Trajectory calculations of collisional energy transfer between excited azulene and Kr are reported, and the results are compared with recent crossed molecular beam experiments by Liu et al. [J. Chem. Phys. 123, 131102 (2005); 124, 054302 (2006)]. Average energy transfer quantities are reported and compared with results obtained before for azulene-Ar collisions. A collisional energy transfer probability density function P(E,E'), calculated at identical initial conditions as experiments, shows a peak at the up-collision branch of P(E,E') at low initial relative translational energy. This peak is absent at higher relative translational energies. There is a supercollision tail at the down-collision side of the probability distribution. Various intermolecular potentials are used and compared. There is broad agreement between experiment and computation, but there are some differences as well.
authors.affiliation: Department of Chemistry, Technion-Israel Institute of Technology, Haifa 32000, Israel.
authors.forename: V
authors.initials: V
authors.lastname: Bernshtein
authors.forename: I
authors.initials: I
authors.lastname: Oref