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THEORETICAL STUDY OF THE STEREO-DYNAMICS OF THE REACTION O + HCl → ClO + H

QIANG WEI

Department of Applied Physics, Chongqing University of Technology, Chongqing 400050, P. R. China

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YING KE XIE

Department of Applied Physics, Chongqing University of Technology, Chongqing 400050, P. R. China

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, and

WEN LIN FENG

Department of Applied Physics, Chongqing University of Technology, Chongqing 400050, P. R. China

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https://doi.org/10.1142/S0219633611006232Cited by:7 (Source: Crossref)

Abstract

Quasi-classical trajectory (QCT) method is used to study the stereo-dynamics of the title reaction on the ground 1 ¹A′ potential energy surface (PES). Differential cross-sections (DCSs) and alignments of the product rotational angular momentum for the reaction are reported. The influence of collision energy on the product vector properties is also studied in the present work. The distribution of angle between k and j′, P(θ_r), the distribution of dihedral angle denoting k-k′-j′ correlation, P(ϕ_r) ⋅ (2π/σ)(dσ₀₀/dω_t), (2π/σ)(dσ₂₀/dω_t), (2π/σ)(dσ₂₂₊/dω_t) and (2π/σ)(dσ_21-/dω_t) have been calculated in the center of mass frame, respectively.

Keywords:

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