A Kinetical Theoretical Study of CN+HX(X=H、Cl、NH2)→HCN+X Reactions
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Abstract
In this paper, a kinetical study of reactions HX(X=H, Cl, NH2)+CN is based on ab initio calculation. Before the transition state, there,is a potential peak during reacting of NH3+CN for NH3 symmetry changing while the potential change of reactions H2, HCl+CN is monotone. The calculated rate constant values are in good agreement with the experimental results by Smith.
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