We review our recent achievements in developing quantum chemistry tools for simulating and interpreting vibrational spectra. These encompass the hyper-Raman scattering technique, the resonance Raman spectroscopy, and the vibrational Raman optical activity spectroscopy. These techniques distinguish from the more usual and widely-spread IR absorption and Raman scattering techniques by their nonlinear (hyper-Raman), resonant (resonance Raman), and optical activity (vibrational Raman optical Activity) characteristics. Applications range from model systems to the investigation of solvent effects and of π-conjugated species.
|Title of host publication||COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING|
|Subtitle of host publication||Advances in Computational Science|
|Publisher||American institute of physics|
|Number of pages||13|
|Publication status||Published - 1 Jan 2009|
|Name||AIP Conference Proceedings|
|Publisher||American Institute of Physics|