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HomeMaterials Science ForumMaterials Science Forum Vol. 878Isotope Effect of the Stereodynamics for the...

Isotope Effect of the Stereodynamics for the Reactions N(⁴S)+HD→NH+D and N(⁴S)+HD→ND+H

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Abstract:

Quasi-classical trajectory calculations have been employed to investigate the influence of isotope effect on the stereodynamics of the title reactions N(⁴S)+HD→NH+D and N(⁴S)+HD→ND+H on the 4A" double many-body expansion (DMBE) potential energy surface (PES) newly constructed by L. A. Poveda et al. [Phys. Chem. Chem. Phys. 7 (2005) 2867]. The generalized polarization-dependent differential cross sections (PDDCSs) and the three angular distributions of P(θ_r), P(φ_r) and P(θ_r,φ_r) are presented and discussed. It is revealed isotope effect exert a substantial influence on the product polarizations.

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Advanced Materials Design and Mechanics IV

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Periodical:

Materials Science Forum (Volume 878)

Pages:

96-100

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.878.96

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Online since:

November 2016

Authors:

Ya Hui Guo*

Keywords:

Isotopic Effect, Quasi-Classical Trajectory, Stereodynamics, Vector Correlations

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© 2017 Trans Tech Publications Ltd. All Rights Reserved

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