TY - JOUR
T1 - A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface
AU - Geiger, Lynn C.
AU - Schatz, George C.
AU - Harding, Lawrence B.
N1 - Funding Information:
This research was supported by NSF Grant CHE-8115109.
PY - 1985/3/15
Y1 - 1985/3/15
N2 - 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.
AB - 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.
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U2 - 10.1016/0009-2614(85)85133-2
DO - 10.1016/0009-2614(85)85133-2
M3 - Article
AN - SCOPUS:0006585802
VL - 114
SP - 520
EP - 525
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 5-6
ER -