<p>Oscillator strengths and transition energies are calculated for several mono-substitutes of benzene and naphthalene molecules. The substituents investigated are chlorine, bromine and iodine. Calculations for these molecules are presented, at the Hartree-Fock and DFT level of theory. The functional used in DFT is CAM-B3LYP.</p>
| Identifer | oai:union.ndltd.org:UPSALLA/oai:DiVA.org:liu-19180 |
| Date | January 2009 |
| Creators | Lövgren, Robin |
| Publisher | Linköping University, Computational Physics |
| Source Sets | DiVA Archive at Upsalla University |
| Language | English |
| Detected Language | English |
| Type | Student thesis, text |
Page generated in 0.0121 seconds