Experiment-oriented quantum chemistry tools for spectroscopies based on electric, magnetic, and vibrational phenomena

  • CHAMPAGNE, Benoit (PI)
  • BOTEK, Edith (Researcher)
  • CAVILLOT, Valerie (Researcher)
  • Guillaume, Maxime (Researcher)
  • Liegeois, Vincent (Researcher)
  • Quinet, Olivier (Researcher)
  • d'Antuono, Philippe (Researcher)

Project: Research

Project Details


Our working aims at developing and implementing quantum chemistry (QC) methods for accurate simulation of spectra based on electric, magnetic, vibrational and mixed phenomena with particular emphasis on Raman optical activity (ROA), circular dichroism (CD), nuclear magnetic resonance (NMR) and sum-frequency generation (SFG) spectroscopies for which experimental aspects will be tackled in parallel.
AcronymCOST D26/0010
Effective start/end date1/01/0231/12/06


  • CD
  • NMR
  • spectroscopy
  • quantum chemistry
  • SFG
  • ROA


Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.