A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface

Lynn C. Geiger, George C Schatz, Lawrence B. Harding

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

The quasi-classical trajectory method is used in conjunction with a globally determined ab initio surface to study translational to vibrational excitation in collisions of hot H atoms with CO. Good agreement with experiment is obtained. Sensitivity of the results to features of the surface is analyzed.

Original languageEnglish
Pages (from-to)520-525
Number of pages6
JournalChemical Physics Letters
Volume114
Issue number5-6
DOIs
Publication statusPublished - Mar 15 1985

Fingerprint

Carbon Monoxide
Trajectories
trajectories
Atoms
collisions
atoms
sensitivity
excitation
Experiments

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface. / Geiger, Lynn C.; Schatz, George C; Harding, Lawrence B.

In: Chemical Physics Letters, Vol. 114, No. 5-6, 15.03.1985, p. 520-525.

Research output: Contribution to journalArticle

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