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  1. TitleRelation between nonlinear optical properties of push-pull molecules and metric of charge transfer excitations
    Author infoNanna Holmgaard List ... [et al.]
    Author List Holmgaard Nanna (25%)
    Co-authors Zaleśny Robert 1977- (15%) UMBFP08 - Katedra chémie
    Murugan N. Arul (15%)
    Kongsted Jacob (15%)
    Bartkowiak Wojciech (15%)
    Ågren Hans (15%)
    Source document Journal of Chemical Theory and Computation. Vol. 11, no. 9 (2015), pp. 4182-4188. - Washington : The American Chemical Society, 2015
    Keywords nelineárne optické vlastnosti   excitácia s prenosom náboja   nonlinear optical properties   charge transfer excitations  
    LanguageEnglish
    CountrySwitzerland
    systematics 544
    Public work category ADC
    No. of Archival Copy34756
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    ReferencesPERIODIKÁ-Súborný záznam periodika
    unrecognised

    unrecognised

  2. TitleComparison of property-oriented basis sets for the computation of electronic and nuclear relaxation hyperpolarizabilities
    Author infoRobert Zaleśny ... [et al.]
    Author Zaleśny Robert 1977- (40%) UMBFP08 - Katedra chémie
    Co-authors Baranowska-Laczkowska Angelika (20%)
    Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
    Luis Josep M. (20%)
    Source document Journal of Chemical Theory and Computation. Vol. 11, no. 9 (2015), pp. 4119-4128. - Washington : The American Chemical Society, 2015
    Keywords hyperpolarizovateľnosť   atómové bázy   vibračné príspevky   hyperpolarizability   atomic basis sets   vibrational contributions  
    LanguageEnglish
    CountryUnited States of America
    systematics 543
    Public work category ADC
    No. of Archival Copy34751
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    ReferencesPERIODIKÁ-Súborný záznam periodika
    unrecognised

    unrecognised



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