Elaboration of quantum chemistry procedures in order to interpret the UV/visible spectra of catalysts used in the procedure of Solvay S.A

Project: PHD

Description

We develop quantum chemistry approaches based on density functional theory to simulate and understand UV/visible spectra of catalysts used by Solvay.
AcronymSUVCAT
StatusFinished
Effective start/end date1/09/001/09/04

Keywords

  • Spectra
  • Polymerization
  • Simulation
  • Catalytic systems
  • UV-Visible