The carbon pentamer dication C52+: Toward thermochemical stability

descriptionPublicationkeyboard_double_arrow_right Article 01 Nov 2003 English Publisher:AIP PublishingJournal:The Journal of Chemical Physics, volume 119, pages 8,849-8,853 (issn: 0021-9606, eissn: 1089-7690,

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Authors: H. Hogreve; A. F. Jalbout;

doi: 10.1063/1.1612911

The carbon pentamer dication C52+: Toward thermochemical stability

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Abstract

Various computational ab-initio methods are employed to study the doubly-charged carbon system C52+. For its electronic ground state, equilibrium geometries are identified, and their stability against dissociation investigated. Multireference configuration-interaction results indicate a weakly bound but thermochemically stable dication.

Related Organizations

Centre de Physique Théorique
France
University of New Orleans
United States

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