Symmetry adapted cluster-configuration interaction calculation of the photoelectron spectra of famous biological active steroids

- Gas phase ionization energies of important steroids were calculated.
- Population ratios of conformers of each steroid were calculated in the gas phase.
- Ten ionization energies were calculated for each steroid.
- The spectral bands of each steroid were assigned by NBO calculations.
- The calculated photoelectron spectra were in good agreement with the experiment.