Browsing CHEM Faculty Scholarship by Author "Gerhard, Dirk"

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    • Aggregation models of potential cyclical trimethylsulfonium dicyanamide ionic liquid clusters 

      Carper, W. Robert; Langenwalter, Kevin; Nooruddin, Naveed S.; Kullman, Michael J.; Gerhard, Dirk; Wasserscheid, Peter (American Chemical Society, 2009-02-19)
      Raman and infrared spectra of trimethylsulfonium dicyanamide [(CH(3))(3)SN(CN)(2)] are reported and accurately reproduced by DFT methods (B3LYP and B3PW91), MP2, and MP3, and to a lesser extent by the RHF method. The ...