Product lambda-doublet ratios as an imprint of chemical reaction mechanism
Propensity for a given Λ-doublet level is a common feature in many chemical reactions, but has so far remained unexplained. Here, the authors show how to predict computationally those propensities and relate them to the reaction mechanism on concurrent potential energy surfaces.
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2016
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oai:doaj.org-article:0bb3342f6fca4b8f898b4fc94b09001f2021-12-02T14:39:31ZProduct lambda-doublet ratios as an imprint of chemical reaction mechanism10.1038/ncomms134392041-1723https://doaj.org/article/0bb3342f6fca4b8f898b4fc94b09001f2016-11-01T00:00:00Zhttps://doi.org/10.1038/ncomms13439https://doaj.org/toc/2041-1723Propensity for a given Λ-doublet level is a common feature in many chemical reactions, but has so far remained unexplained. Here, the authors show how to predict computationally those propensities and relate them to the reaction mechanism on concurrent potential energy surfaces.P. G. JambrinaA. ZanchetJ. AldegundeM. BrouardF. J. AoizNature PortfolioarticleScienceQENNature Communications, Vol 7, Iss 1, Pp 1-8 (2016) |
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Science Q P. G. Jambrina A. Zanchet J. Aldegunde M. Brouard F. J. Aoiz Product lambda-doublet ratios as an imprint of chemical reaction mechanism |
description |
Propensity for a given Λ-doublet level is a common feature in many chemical reactions, but has so far remained unexplained. Here, the authors show how to predict computationally those propensities and relate them to the reaction mechanism on concurrent potential energy surfaces. |
format |
article |
author |
P. G. Jambrina A. Zanchet J. Aldegunde M. Brouard F. J. Aoiz |
author_facet |
P. G. Jambrina A. Zanchet J. Aldegunde M. Brouard F. J. Aoiz |
author_sort |
P. G. Jambrina |
title |
Product lambda-doublet ratios as an imprint of chemical reaction mechanism |
title_short |
Product lambda-doublet ratios as an imprint of chemical reaction mechanism |
title_full |
Product lambda-doublet ratios as an imprint of chemical reaction mechanism |
title_fullStr |
Product lambda-doublet ratios as an imprint of chemical reaction mechanism |
title_full_unstemmed |
Product lambda-doublet ratios as an imprint of chemical reaction mechanism |
title_sort |
product lambda-doublet ratios as an imprint of chemical reaction mechanism |
publisher |
Nature Portfolio |
publishDate |
2016 |
url |
https://doaj.org/article/0bb3342f6fca4b8f898b4fc94b09001f |
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_version_ |
1718390576126099456 |