Matches in SemOpenAlex for { <https://semopenalex.org/work/W1987659864> ?p ?o ?g. }
- W1987659864 abstract "Dynamics of the title reaction is investigated on an ab initio based potential energy surface using a full-dimensional quantum wave packet method within the centrifugal sudden approximation. It is shown that the reaction between H and HCN leads to both the hydrogen exchange and hydrogen abstraction channels. The exchange channel has a lower threshold and larger cross section than the abstraction channel. It also has more oscillations due apparently to quantum resonances. Both channels are affected by long-lived resonances supported by potential wells. Comparison with experimental cross sections indicates underestimation of the abstraction barrier height." @default.
- W1987659864 created "2016-06-24" @default.
- W1987659864 creator A5019157263 @default.
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- W1987659864 date "2013-12-12" @default.
- W1987659864 modified "2023-10-17" @default.
- W1987659864 title "Competition between abstraction and exchange channels in H + HCN reaction: Full-dimensional quantum dynamics" @default.
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- W1987659864 doi "https://doi.org/10.1063/1.4840475" @default.
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