Quasi-classical trajectory study of the isotope effect on the stereodynamics in the reaction H( super(2)S) + CH(X super(2)[productoperator]; v = 0, j = 1) arrow right C( super(1)D) + H sub(2)(X super(1)[summationoperator] sub(g) super(+))

The isotope effect on the stereodynamic properties in the title reaction is investigated by a quasi-classical trajectory (QCT) method on the 1 super(1)A' potential energy surface at a collision energy of 23.06 kcal/mol. The angular distributions P([theta] sub(r)), P([phi] sub(r)), P([theta] sub...

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Veröffentlicht in:Chinese physics B 2014-04, Vol.23 (4), p.043401-1-043401-6
Hauptverfasser: Wang, Yun-Hui, Xiao, Chuan-Yun, Deng, Kai-Ming, Lu, Rui-Feng
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Sprache:eng
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Zusammenfassung:The isotope effect on the stereodynamic properties in the title reaction is investigated by a quasi-classical trajectory (QCT) method on the 1 super(1)A' potential energy surface at a collision energy of 23.06 kcal/mol. The angular distributions P([theta] sub(r)), P([phi] sub(r)), P([theta] sub(r), [phi] sub(r)), and the polarization-dependent generalized differential cross sections are calculated, which demonstrate the observable influences on the rotational polarization of the product by the isotopic substitution of H with D.
ISSN:1674-1056
1741-4199
DOI:10.1088/1674-1056/23/4/043401