Representative references

  • L. Le Bras, C. Lemarchand, S. Aloïse, C. Adamo, N. Pineau, and A. Perrier, Modeling Photonastic Materials: A First Computational Study, J. Chem. Theory Comput., 2020. doi: 10.1021/acs.jctc.0c00762

  • L. Le Bras, R. Berthin, I. Hamdi, M. Louati, S. Aloïse, M.Takeshita, C. Adamo, and A. Perrier, Understanding the properties of dithienylethenes functionalized for supramolecular self-assembly: a molecular modeling study, Phys. Chem. Chem. Phys., 2020, 22, 6942.

  • L. Le Bras, C. Adamo, and A. Perrier, Modeling the modulation of emission behavior in E/Z isomers of dipyrrolyldiphenylethene: from molecules to nanoaggregates, J. Phys. Chem. C, 2017, 121, 45, 25603.