| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1408428 | Journal of Molecular Structure | 2014 | 11 Pages |
Abstract
- 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.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Fatemeh Abyar, Hossein Farrokhpour,