FTIR Spectra of some Pyrimidine Derivatives: AM1, PM3 and Ab Initio Calculations
Abstract. FTIR spectra of some pyrimidine derivatives have been measured experimentally and the observed FTIR vibrational frequencies have been assigned and reported. The different vibrational frequencies have been calculated by the AM1, PM3, and ab initio methods and compared with the experimentally observed frequencies .
Maher Soueidan, Mohamad Roumié and Pierre Masri
G. Younes et al., "FTIR Spectra of some Pyrimidine Derivatives: AM1, PM3 and Ab Initio Calculations", Advanced Materials Research, Vol. 324, pp. 332-335, 2011