Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment

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dc.contributor.affiliationUniversidade de Santiago de Compostela. Centro de Investigación en Química Biolóxica e Materiais Molecularesgl
dc.contributor.affiliationUniversidade de Santiago de Compostela. Departamento de Química Físicagl
dc.contributor.authorFernández Ramos, Antonio
dc.date.accessioned2018-06-20T12:06:43Z
dc.date.available2018-06-20T12:06:43Z
dc.date.issued2013-07-05
dc.descriptionThis is the peer reviewed version of the following article: Fernández-Ramos, A. (2013). Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment. Angewandte Chemie International Edition, 52(32), 8204-8205. doi: 10.1002/anie.201303206, which has been published in final form at https://doi.org/10.1002/anie.201303206. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versionsgl
dc.description.abstractThe correct interpretation is provided of how tunneling proceeds at low temperatures in the proton transfer Reactions (1) and (3) involving thiotropolone and tropolone (see the Arrhenius plots). It is also shown that the variational transition‐state theory calculations carried out by Jose and Datta (Angew. Chem.­ 2012, 124, 9523; Angew. Chem. Int. Ed.­ 2012, 51, 9389), as well as their conclusions regarding these two processes are erroneousgl
dc.description.peerreviewedSIgl
dc.identifier.citationFernández-Ramos, A. (2013). Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment. Angewandte Chemie International Edition, 52(32), 8204-8205. doi: 10.1002/anie.201303206gl
dc.identifier.doi10.1002/anie.201303206
dc.identifier.essn1521-3773
dc.identifier.issn1433-7851
dc.identifier.urihttp://hdl.handle.net/10347/16856
dc.language.isoenggl
dc.publisherWileygl
dc.relation.publisherversionhttps://doi.org/10.1002/anie.201303206gl
dc.rightsCopyright © 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheimgl
dc.rights.accessRightsopen accessgl
dc.subjectChemical reaction dynamicsgl
dc.subjectDensity functional calculationsgl
dc.subjectKeto–enol tautomerismgl
dc.subjectQuantum tunnelinggl
dc.titleCorrect Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Commentgl
dc.typejournal articlegl
dc.type.hasVersionAMgl
dspace.entity.typePublication
relation.isAuthorOfPublication96b5fca4-83a3-4e56-97f0-416e7e786445
relation.isAuthorOfPublication.latestForDiscovery96b5fca4-83a3-4e56-97f0-416e7e786445

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