Unusual Inorganic Biradicals: A Theoretical Analysis

TitleUnusual Inorganic Biradicals: A Theoretical Analysis
Publication TypeJournal Article
Year of Publication2013
AuthorsMiliordos E, Ruedenberg K, Xantheas SS
Journal TitleAngewandte Chemie-International Edition
Volume52
Pages5736-5739
Date Published05/27
Type of ArticleArticle
ISBN Number1433-7851
Accession NumberWOS:000319741100008
KeywordsBASIS-SETS, biradical character, configuration-interaction, Criegee biradicals, excited-states, o-3, orbitals, ozone, POTENTIAL-ENERGY SURFACES, singlet-triplet, splitting, trimethylenemethane, unpaired electrons
URL<Go to ISI>://WOS:000319741100008
DOI10.1002/anie.201300654