Theoretical study of UV spectra of diazaphenanthrenesulfonamides calculated by AM1 and DFT B3-LYP methods

Barbara Dondela, Lidia Chrzastek
2007 Journal of Physics, Conference Series  
Two diazaphenanthrenesulfonamides have been synthesized. For calculation of experimental and theoretical UV values of these compounds the AM1 CI method has been used; their geometry optimisation was made with AM1 CI and DFT B-3 LYP methods.
doi:10.1088/1742-6596/79/1/012042 fatcat:r2ntdwsusfeitj5t2qjcwwn2sq