1.-3. nimetus 3-st

    • pKaH values and θH angles of phosphanes to predict their electronic and steric parameters 

      Pikma, Marta-Lisette; Tshepelevitsh, Sofja; Selberg, Sigrid; Kaljurand, Ivari; Leito, Ivo; Kütt, Agnes (University of Tartu, 2024)
      Phosphanes have numerous important uses and at the same time are an important class of organic bases with basicities spanning more than 30 orders of magnitude. In many cases, their behaviour in specific applications depends ...
    • Step-by-step replacement of cyano groups by tricyanovinyls – the influence on the acidity 

      Kütt, Agnes (University of Tartu, 2023)
      The dataset includes supporting information files for the article "Step-by-step replacement of cyano groups by tricyanovinyls – the influence on the acidity". The dataset contains results of optimization and frequency ...
    • Tris(benzophenoneimino)phosphane and related compounds 

      Pikma, Marta-Lisette; Lõkov, Märt; Tshepelevitsh, Sofja; Saame, Jaan; Haljasorg, Tõiv; Toom, Lauri; Selberg, Sigrid; Leito, Ivo; Kütt, Agnes (University of Tartu, Institute of Chemistry, Chair of Analytical Chemistry, 2023)
      The dataset includes files supporting the article named "Tris(benzophenoneimino)phosphane and related compounds". Monocrystal XRD data, calculated .cosmo files, calculated pKaH values for related and correlation compounds, ...