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dc.contributor.authorTuononen, Heikki
dc.contributor.authorChivers, Tristram
dc.contributor.authorArmstrong, Andrea
dc.contributor.authorFedorchuk, Chantall
dc.contributor.authorBoeré, René
dc.date.accessioned2015-11-19T09:23:04Z
dc.date.available2015-11-19T09:23:04Z
dc.date.issued2007
dc.identifier.citationTuononen, H., Chivers, T., Armstrong, A., Fedorchuk, C., & Boeré, R. (2007). Computational modeling of isotropic electron paramagnetic resonance spectra of doublet state main group radicals. <i>Journal of Organometallic Chemistry</i>, <i>692</i>(13), 2705-2715. <a href="https://doi.org/10.1016/j.jorganchem.2006.12.019" target="_blank">https://doi.org/10.1016/j.jorganchem.2006.12.019</a>
dc.identifier.otherCONVID_17431115
dc.identifier.otherTUTKAID_28493
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/47746
dc.description.abstractThe combined use of theoretical and mathematical methods in the analysis of electron paramagnetic resonance data has greatly increased the ability to interpret even the most complex spectra reported for doublet state inorganic main group radicals. This personal account summarizes the theoretical basis of such an approach and provides an in-depth discussion of some recent illustrative examples of the utilization of this methodology in practical applications. The emphasis is on displaying the enormous potential embodied within the approach.
dc.language.isoeng
dc.publisherElsevier
dc.relation.ispartofseriesJournal of Organometallic Chemistry
dc.subject.otherEPR spektroskopia
dc.subject.otherpääryhmien alkuaineiden radikaalit
dc.subject.otherEPR spectroscopy
dc.subject.othermain group radicals
dc.subject.otherspectral simulation
dc.titleComputational modeling of isotropic electron paramagnetic resonance spectra of doublet state main group radicals
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201511183707
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2015-11-18T13:15:11Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.format.pagerange2705-2715
dc.relation.issn0022-328X
dc.relation.numberinseries13
dc.relation.volume692
dc.type.versionacceptedVersion
dc.rights.copyright© 2006 Elsevier B.V. This is a final draft version of an article whose final and definitive form has been published by Elsevier. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.subject.ysosimulointi
jyx.subject.urihttp://www.yso.fi/onto/yso/p4787
dc.relation.doi10.1016/j.jorganchem.2006.12.019


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