Now showing items 1-3 of 3

    • 5-Methylhydantoin: from isolated molecules in a low-temperature argon matrix to solid state polymorphs characterization 

      Nogueira, Bernardo A.; Öğrüç Ildız, Gülce; Canotilho, J.; Eusebio, M. E. S.; Henriques, M. S. C.; Paixao, J. A.; Fausto, Rui (Amer Chemical Soc, 1155 16th St, Nw, Washington, Dc 20036 USA, 2017-07-20)
      The molecular structure, vibrational spectra and photochemistry of 5-methylhydantoin (C4H6N2O2; 5-MH) were studied by matrix isolation infrared spectroscopy and theoretical calculations at the DFT(B3LYP)/6-311++G(d,p) ...
    • Molecular Structure, Infrared Spectra, Photochemistry, and Thermal Properties of 1-Methylhydantoin 

      Nogueira, Bernardo A.; Öğrüç Ildız, Gülce; Canotilho, Joao; Eusebio, M. Ermelinda S.; Fausto, Rui (Amer Chemical Soc, 1155 16Th St, Nw, Washington, Dc 20036 Usa, 2014-08-07)
      The structural, vibrational, and photochemical study of 1-methylhydantoin (1-MM, C4H6N2O2) was undertaken by matrix isolation infrared spectroscopy (in argon matrix; 10 K), complemented by quantum chemical calculations ...
    • Structural and spectroscopic characterization of the second polymorph of 1-methylhydantoin 

      Nogueira, Bernardo A.; Öğrüç Ildız, Gülce; Henriques, Marta S. C.; Paixao, Jose Antonio; Fausto, Rui (Elsevier Science Bv, Po Box 211, 1000 AE Amsterdam, Netherlands, 2017-11-15)
      In a previous study [Nogueira, B.A.; Ildiz, G.O.; Canotilho, J.; Eusebio, M. E. S.; Fausto, R. J. Phys. Chem. A, 2014, 118, 5994-6008], two different polymorphs of 1-methylhydantoin (1-MH, C4H6N2O2) were identified using ...