A QUASSICLASSICAL TRAJECTORY STUDY OF THE REACTANT STATE RESOLVED STEREODYNAMICS OF THE REACTION C + OH(v,j) → CO + H
2012 ◽
Vol 11
(04)
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pp. 811-819
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Keyword(s):
Quassiclassical trajectory (QCT) calculations have been performed for the radical–radial reaction C + OH (v,j) → CO + H on the ab initio potential energy surface of [Zanchet et al., J. Phys. Chem. A110: 12017, 2006] in order to study the stereodyanmics of the title reaction. The product rotational angular momentum (j′) polarization in the (k,k′) scattering frame has been determined for selected rovibrational state of OH at the collision energies from 0.05 eV to 1.0 eV. The j′ distribution of product CO is found to display both alignment and orientation. Furthermore, the j′ in the k – k′ scattering frame were found to be very sensitive to the reactant OH rotational state, but not sensitive to the reactant OH vibrational state.
2014 ◽
Vol 92
(3)
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pp. 250-256
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INFLUENCE OF THE COLLISION ENERGY ON STEREODYNAMICS OF THE F + LiH (v = 0, j = 0) → LiF + H REACTION
2011 ◽
Vol 10
(04)
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pp. 401-410
2003 ◽
Vol 118
(4)
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pp. 1653-1660
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Keyword(s):
2012 ◽
Vol 31
(1)
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pp. 69-109
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2020 ◽
2020 ◽
Vol 494
(4)
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pp. 5675-5681
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