Classical calculations of NH_{3} and H_{2}O rotational excitation in energetic collisions with atomic oxygen
Abstract
Classical, rigid rotor rotational excitation probabilities have been calculated for a symmetric top, NH_{3}, and an asymmetric rotor, H_{2}O, undergoing high energy collisions with atomic oxygen. A Monte Carlo procedure was utilized to determine both the probability distributions for total translational to rotational energy transfer and the resulting distributions of rotational angular momenta. Intermolecular potentials constructed from interpenetrating hard spheres were employed to obtain results applicable to high energy (?1 eV) atom/rigid rotor collisions.
 Publication:

Journal of Chemical Physics
 Pub Date:
 January 1977
 DOI:
 10.1063/1.433658
 Bibcode:
 1977JChPh..66..119K
 Keywords:

 Ammonia;
 Atomic Collisions;
 Molecular Collisions;
 Molecular Rotation;
 Oxygen Atoms;
 Water;
 Energy Transfer;
 High Energy Interactions;
 Histograms;
 Intermolecular Forces;
 Monte Carlo Method;
 Physical Chemistry;
 Probability Distribution Functions;
 Atomic and Molecular Physics;
 34.50.Ez;
 Rotational and vibrational energy transfer