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On the electronic structure of a dianion, a radical anion, and a neutral biradical (HB)11C-C=C-C(BH)11 carborane dimer
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SYSNO ASEP 0333072 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title On the electronic structure of a dianion, a radical anion, and a neutral biradical (HB)11C-C=C-C(BH)11 carborane dimer Author(s) Oliva, J. M. (ES)
Serrano-Andrés, L. (ES)
Havlas, Zdeněk (UOCHB-X) RID, ORCID
Michl, Josef (UOCHB-X) RID, ORCIDNumber of authors 4 Source Title Journal of Molecular Structure. Theochem. - : Elsevier - ISSN 0166-1280
Roč. 912, 1/3 (2009), s. 13-20Number of pages 8 s. Language eng - English Country NL - Netherlands Keywords (Bi)radical ; DFT ; CASPT2 ; molecular architecture ; triplet Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400550708 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000270617600004 DOI 10.1016/j.theochem.2009.01.033 Annotation Electronic structure of the dianion, a radical anion, and neutral biradical (BH)11C-C=C-C(BH)11 of the carborane dimer is analzyed by quantum chemical methods. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2010
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