Elaboration of quantum chemistry methods for simulating the vibrational spectra of chiral structures with inclusion of frequency and electron correlation effects

Project: PHD

Description

Elaboration of quantum chemistry methods for simulating the vibrational spectra of chiral structures with inclusion of frequency and electron correlation effects. These methods will be applied to the characterization of molecular ans supramolecular structures of polymer
StatusFinished
Effective start/end date1/10/041/10/08

Keywords

  • VROA
  • electron correlation
  • chirality
  • Raman
  • vibrational spectroscopies