The molecular structure, Mulliken charge distribution, dipole moment and polarizability, thermodynamic properties of six nitrogen oxldes（N2O, NO, NO2, N2O3, N204,N2O2） have been calculated by quantum chemical density functional theory （DFT） on the level of 6-311 ＋ ＋ G （d, p）. The theoretical research result has shown that the theoretical calculated results are consistent with the experimental results, and the error is tiny. The structure and chemical properties of nitrogen oxides by the molec...
