Conformational analysis of mono-and bis(dimethoxyphosphoryl)benzenes-chemical calculations (DFT B3LYP/6-31
G*). Comparison of all calculated and experimental data shows that the compounds
Theoretical conformational analysis of substituted nitroethenes in solution)ethenes dissolved in methylene chloride and benzene was carried out by the B3LYP/6-31
G*method. The calculated
Conformational analysis of 1,4-heterophosphinanes moment and Kerr effect methods, molecular mechanics, and quantum-chemical calculations (B3LYP/6-31
G Fourier transform IR spectra and structure of 2-substituted 1-nitro- and 1-bromo-1-nitroethenes functional theory (B3LYP/6-31
G*). The experimental FTIR spectra of these compounds in the range from 4000