<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 |
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