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Volume 3, Issue 2
Effect of the Isotope Substitution on the Stereodynamics for $O+H(D)Br \rightarrow OH(D)+Br$ Reactions

Hong Li, Bin Zheng, Ji-Qing Yin & Qing-Tian Meng

DOI: 10.4208/jams.052411.070811a

J. At. Mol. Sci., 3 (2012), pp. 114-121.

Published online: 2012-03

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  • Abstract

The influence of the isotope substitution on the dynamics of the title reactions is investigated using the quasi-classical trajectory method based on the potential energy surface for the $X^1A'$ ground singlet state of HOBr system. Apparent differences on the stereo-dynamic properties are discovered between the title reactions. These discrepancies are mainly due to the unequal reduced masses of the reactants and different zero-point energies of the transition state, which affect the vector properties of the title reactions.

  • Keywords

isotope substitution, vector correlation, quasi-classical trajectory.

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COPYRIGHT: © Global Science Press

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@Article{JAMS-3-114, author = {Li , HongZheng , BinYin , Ji-Qing and Meng , Qing-Tian}, title = {Effect of the Isotope Substitution on the Stereodynamics for $O+H(D)Br \rightarrow OH(D)+Br$ Reactions}, journal = {Journal of Atomic and Molecular Sciences}, year = {2012}, volume = {3}, number = {2}, pages = {114--121}, abstract = {

The influence of the isotope substitution on the dynamics of the title reactions is investigated using the quasi-classical trajectory method based on the potential energy surface for the $X^1A'$ ground singlet state of HOBr system. Apparent differences on the stereo-dynamic properties are discovered between the title reactions. These discrepancies are mainly due to the unequal reduced masses of the reactants and different zero-point energies of the transition state, which affect the vector properties of the title reactions.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.052411.070811a}, url = {http://global-sci.org/intro/article_detail/jams/10137.html} }
TY - JOUR T1 - Effect of the Isotope Substitution on the Stereodynamics for $O+H(D)Br \rightarrow OH(D)+Br$ Reactions AU - Li , Hong AU - Zheng , Bin AU - Yin , Ji-Qing AU - Meng , Qing-Tian JO - Journal of Atomic and Molecular Sciences VL - 2 SP - 114 EP - 121 PY - 2012 DA - 2012/03 SN - 3 DO - http://doi.org/10.4208/jams.052411.070811a UR - https://global-sci.org/intro/article_detail/jams/10137.html KW - isotope substitution, vector correlation, quasi-classical trajectory. AB -

The influence of the isotope substitution on the dynamics of the title reactions is investigated using the quasi-classical trajectory method based on the potential energy surface for the $X^1A'$ ground singlet state of HOBr system. Apparent differences on the stereo-dynamic properties are discovered between the title reactions. These discrepancies are mainly due to the unequal reduced masses of the reactants and different zero-point energies of the transition state, which affect the vector properties of the title reactions.

Li , HongZheng , BinYin , Ji-Qing and Meng , Qing-Tian. (2012). Effect of the Isotope Substitution on the Stereodynamics for $O+H(D)Br \rightarrow OH(D)+Br$ Reactions. Journal of Atomic and Molecular Sciences. 3 (2). 114-121. doi:10.4208/jams.052411.070811a
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