Essays about: "naphtalenes"
Found 1 essay containing the word naphtalenes.
University essay from Linköpings universitet/Beräkningsfysik
Abstract : 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. READ MORE