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Association of Cl with C(2)H(2) by unified variable-reaction-coordinate and reaction-path variational transition-state theory

Barrierless unimolecular association reactions are prominent in atmospheric and combustion mechanisms but are challenging for both experiment and kinetics theory. A key datum for understanding the pressure dependence of association and dissociation reactions is the high-pressure limit, but this is o...

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Veröffentlicht in:Proc Natl Acad Sci U S A
Hauptverfasser: Zhang, Linyao, Truhlar, Donald G., Sun, Shaozeng
Format: Artigo
Sprache:Inglês
Veröffentlicht: National Academy of Sciences 2020
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7084150/
https://ncbi.nlm.nih.gov/pubmed/32123079
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1920018117
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