TY - JOUR
T1 - Oscillating reactivity in quasiclassical trajectory calculations for the reaction O(3P) + HC1 → OH + Cl
AU - Persky, Avigdor
AU - Kornweitz, Haya
PY - 1986/7/4
Y1 - 1986/7/4
N2 - Strong oscillations in the reactivity as a function of collision energy were found in collinear quasiclassical trajectory calculations for the reaction O(3P)+HCl(v = 0) → OH + Cl. Oscillations were also observed in 3D calculations for HCl(v = 0, J = 0) under the special conditions of near-zero impact parameters b and small and specific values of the azimuthal orientation angle θr, the angle between the molecular axis of HC1 and the initial direction of the relative velocity vector. These oscillations were washed out when θr and b were randomly selected from the appropriate ranges, and were not observed even for the reactive scattering in the angular ranges 170 to 180° and 175 to 180°.
AB - Strong oscillations in the reactivity as a function of collision energy were found in collinear quasiclassical trajectory calculations for the reaction O(3P)+HCl(v = 0) → OH + Cl. Oscillations were also observed in 3D calculations for HCl(v = 0, J = 0) under the special conditions of near-zero impact parameters b and small and specific values of the azimuthal orientation angle θr, the angle between the molecular axis of HC1 and the initial direction of the relative velocity vector. These oscillations were washed out when θr and b were randomly selected from the appropriate ranges, and were not observed even for the reactive scattering in the angular ranges 170 to 180° and 175 to 180°.
UR - http://www.scopus.com/inward/record.url?scp=46149129750&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(86)80617-0
DO - 10.1016/0009-2614(86)80617-0
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AN - SCOPUS:46149129750
SN - 0009-2614
VL - 127
SP - 609
EP - 614
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 6
ER -