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Multicenter Bond Indices as a New Measure of Aromaticity in Polycyclic Aromatic Hydrocarbons

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    SYSNO ASEP0028611
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JOstatní články
    TitleMulticenter Bond Indices as a New Measure of Aromaticity in Polycyclic Aromatic Hydrocarbons
    TitleVícecentrické vazebné indexy jako nový nástroj pro charakterizaci aromaticity polycycklických aromatických uhlovodíků
    Author(s) Bultinck, P. (BE)
    Ponec, Robert (UCHP-M) RID, ORCID, SAI
    Van Damme, S. (BE)
    Source TitleJournal of Physical Organic Chemistry. - : Wiley - ISSN 0894-3230
    Roč. 18, č. 8 (2005), s. 706-718
    Number of pages13 s.
    Languageeng - English
    CountryGB - United Kingdom
    Keywordsmulticenter bond indices ; polycyclic aromatic hydrocarbons ; aromaticity
    Subject RIVCF - Physical ; Theoretical Chemistry
    R&D ProjectsIAA4072403 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
    CEZAV0Z40720504 - UCHP-M (2005-2011)
    AnnotationThis paper reports the application of the recently proposed formalism known as generalized population analysis (GPA) as a new means for the quantitative characterization of the aromaticity of various benzenoid rings in polycyclic aromatic hydrocarbons (PAHs). The quantity which we propose as a new measure of aromaticity is the so-called six-center bond index.
    WorkplaceInstitute of Chemical Process Fundamentals
    ContactEva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227
    Year of Publishing2006
Number of the records: 1  

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