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The Close Relation between Cyclic Delocalization, Energy Effects of Cycles and Aromaticity
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SYSNO ASEP 0320867 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title The Close Relation between Cyclic Delocalization, Energy Effects of Cycles and Aromaticity Title Těsný vztah mezi cyclickou delokalizací, energetickými efekty cyklů a aromaticitou Author(s) Ponec, Robert (UCHP-M) RID, ORCID, SAI
Fias, S. (BE)
Van Damme, S. (BE)
Bultinck, P. (BE)
Gutman, I. (CZ)
Stanković, S. (CS)Number of authors 6 Source Title Collection of Czechoslovak Chemical Communications. - : Ústav organické chemie a biochemie AV ČR, v. v. i. - ISSN 0010-0765
Roč. 74, č. 1 (2009), s. 147-166Number of pages 20 s. Language eng - English Country CZ - Czech Republic Keywords arenes ; electron delocalization ; aromacity Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA4072403 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40720504 - UCHP-M (2005-2011) UT WOS 000265420500010 DOI 10.1135/cccc200865 Annotation The reported close correlation between both types of indices imply that no discrepancies between classical and magnetic aromaticity measures exist provided the comparison is based on the indices of inherently local nature and/or provided the interfering contributions of contaminating conjugated circuits is properly taken into account in the description of aromaticity measures like TRE or NICS. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2009
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