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 journal › Article

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 journal › Article

Geiger, LC, Schatz, GC & Harding, LB 1985, 'A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface', Chemical Physics Letters, vol. 114, no. 5-6, pp. 520-525. https://doi.org/10.1016/0009-2614(85)85133-2
Geiger LC, Schatz GC, Harding LB. A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface. Chemical Physics Letters. 1985 Mar 15;114(5-6):520-525. https://doi.org/10.1016/0009-2614(85)85133-2
Geiger, Lynn C. ; Schatz, George C ; Harding, Lawrence B. / A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface. In: Chemical Physics Letters. 1985 ; Vol. 114, No. 5-6. pp. 520-525.
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