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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Auteurs principaux:	P. G. Jambrina, A. Zanchet, J. Aldegunde, M. Brouard, F. J. Aoiz
Format:	article
Langue:	EN
Publié:	Nature Portfolio 2016
Sujets:	Science Q
Accès en ligne:	https://doaj.org/article/0bb3342f6fca4b8f898b4fc94b09001f
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id	oai:doaj.org-article:0bb3342f6fca4b8f898b4fc94b09001f
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spelling	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)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	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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Product lambda-doublet ratios as an imprint of chemical reaction mechanism

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