Abstract
Three-dimensional quasiclassical trajectory results obtained using an ab initio potential energy surface for rigid rotor HFLi collisions exhibit an interesting kinematic effect: with increase in mass of the projectile atom the amount of rotational energy transferred decreases in contrast to the reverse trend known in homonuclear diatom-atom collisions. The differing kinematics effects are explained on the basis of differing effective anisotropies that become evident in plots of potential energy contours in mass-weighted coordinates (R, δ) proposed recently by Loesch. We also work out the conditions for multiple collisions using different ellipse models.
Original language | English (US) |
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Pages (from-to) | 187-199 |
Number of pages | 13 |
Journal | Chemical Physics |
Volume | 113 |
Issue number | 2 |
DOIs | |
State | Published - Apr 15 1987 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry