Mechanisms of Energy Transfer in Hydrogen Fluoride Systems.
Abstract
Rate coefficients are calculated for the energy-transfer processes that occur when HF(v1,J1) molecules collide with HF(v2,J2) molecules. Three-dimensional classical trajectories of the collision dynamics of these energy-transfer processes were calculated by means of a potential energy surface, which consists of a London-Eyring-Polanyi-Sato (LEPS) potential function for the short-range interactions and a partial-point-charge, dipole-dipole function for the long-range interactions. This energy surface was used to predict an equilibrium geometry of the HF dimer.
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 23, 1977
- Accession Number
- ADA045617
Entities
People
- Roger L. Wilkins
Organizations
- The Aerospace Corporation