Investigation of the environment effects on the Raman optical activity signatures of flexible solute molecules

D'HAESE, Lou (PI)
Liegeois, Vincent (Supervisor)

Project: PHD

Acronym	ROA_env
Status	Active
Effective start/end date	28/10/22 → 28/10/26

Keywords

vibrational spectroscopies
Raman spectroscopy
Raman Optical Activity (ROA)
Quantum Chemistry
Simulations théoriques
density functional theory (DFT)

1 Article

Understanding the surrounding effects on Raman optical activity signatures of a chiral cage system: Cryptophane-PP-111
D'haese, L. C. G., Daugey, N., Pitrat, D., Brotin, T., Kapitán, J. & Liégeois, V., 5 Feb 2024, In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 306, 123484.
Research output: Contribution to journal › Article › peer-review

Open Access

High Performance Computing Technology Platform
Benoît Champagne (Manager)
Technological Platform High Performance Computing
Facility/equipment: Technological Platform