Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights

ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTComputational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic InsightsTheresa Sperger†, Italo A. Sanhueza†‡, Indrek Kalvet†, and Franziska Schoenebeck*†View Author Information† Institute of Organic Chemistry, RWTH Aachen University, Landoltweg 1, 52074 Aachen, Germany‡ Laboratory of Organic Chemistry, ETH Zürich, Vladimir-Prelog-Weg 3, 8093 Zürich, Switzerland*E-mail: email protectedCite this: Chem. Rev. 2015, 115, 17, 9532–9586Publication Date (Web):July 24, 2015Publication History Received17 March 2015Published online24 July 2015Published inissue 9 September 2015https://pubs.acs.org/doi/10.1021/acs.chemrev.5b00163https://doi.org/10.1021/acs.chemrev.5b00163review-articleACS PublicationsCopyright © 2015 American Chemical SocietyRequest reuse permissionsArticle Views20605Altmetric-Citations474LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Chemical calculations,Hydrocarbons,Ligands,Oxidative addition,Selectivity Get e-Alerts