Abstract
We review our recent achievements in developing quantum chemistry tools for simulating and interpreting vibrational resonant Raman spectra. Applications to rhodamine 6G illustrates the performance of the method and highlights ways of improvement.
Original language | English |
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Title of host publication | AIP Conference Proceedings |
Pages | 928-931 |
Number of pages | 4 |
Volume | 1504 |
DOIs | |
Publication status | Published - 1 Jan 2012 |
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High Performance Computing Technology Platform
Benoît Champagne (Manager)
Technological Platform High Performance ComputingFacility/equipment: Technological Platform