Now showing items 1-2 of 2

    • A Vibrational Spectroscopy Study on Anserine and Its Aqueous Solutions 

      Akkaya, Yasemin; Balcı, Kubilay; Gören, Yeliz; Akyüz, Sevim; Stricker, Moogega C.; Ritzhaupt, G.; Stover, D. D.; Collier, W. B. (Pergamon-Elsevier Science Ltd, The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1Gb, England, 2015-10-05)
      In this study based on vibrational spectroscopic measurements and Density Functional Theory (OFF), we aimed for a reliable interpretation of the IR and Raman spectra recorded for anserine in the solid phase and water (H2O) ...
    • The effects of conformation and zwitterionic tautomerism on the structural and vibrational spectral data of anserine 

      Balcı, Kubilay; Akkaya, Yasemin; Akyüz, Sevim; Collier, W. B.; Stricker, Moogega C.; Stover, D. D.; Ritzhaupt, G.; Koch, Andreas; Kleinpeter, Erich (Elsevier Science Bv, Po Box 211, 1000 AE Amsterdam, Netherlands, 2016-09)
      In this study, the stable conformers of neutral anserine were searched by molecular dynamics simulations and energy minimization calculations using the MM2 force field. Thermochemical calculations at B3LYP/6-31G(d) level ...