Representative references:

  • V. Liégeois, C.R. Jacob, B. Champagne, M. Reiher, Analysis of Vibrational Raman Optical Activity Signatures of the (TG)N and (GG)N Conformations of Isotactic Polypropylene Chains in Terms of Localized Modes, J. Phys. Chem. A 114, 7198–7212 (2010).

  • V. Liégeois, K. Ruud, B. Champagne, An analytical derivative procedure for the calculation of vibrational Raman optical activity spectra, J Chem Phys 127, 204105 (2007).

  • V. Liégeois and B. Champagne, Implementation in the PYVIB2 program of the localized mode method and application to a helicene, Theor. Chem. Acc. 131, 1284 (2012).

  • M. Rauhalahti, S. Taubert, D. Sundholm, and V. Liégeois, Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials, Phys. Chem. Chem. Phys. 19, 7124-7131 (2017).