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The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study

  1. 1.
    SYSNO0329462
    TitleThe Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study
    Author(s) Eckert-Maksič, M. (HR)
    Lischka, Hans (UOCHB-X)
    Maksič, Z. B. (HR)
    Vazdar, M. (HR)
    Source Title Journal of Physical Chemistry A. Roč. 113, č. 29 (2009), s. 8351-8358. - : American Chemical Society
    Document TypeČlánek v odborném periodiku
    Grant LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
    P18411-N19, AT - Austria
    CEZAV0Z40550506 - UOCHB-X (2005-2011)
    Languageeng
    CountryUS
    Keywords MR-AQCC method * cyanocyclobutadienes * izomerization
    Permanent Linkhttp://hdl.handle.net/11104/0005447
     
Number of the records: 1  

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