Representative references:

  • J. Quertinmont, B. Champagne, F. Castet, and M. Hidalgo Cardenuto, Explicit versus Implicit Solvation Effects on the First Hyperpolarizability of an Organic Biphotochrome, J. Phys. Chem. A 119, 5496-5503 (2015).

  • J. Quertinmont, A. Carletta, N. Tumanov, T. Leyssens, J. Wouters, and B. Champagne, Assessing density functional theory approaches for predicting the structure and relative energy of salicylidenaniline molecular switches in the solid state, J. Phys. Chem. C 121, 6898-6908 (2017).

  • J. Quertinmont, T. Leyssens, J. Wouters, and B. Champagne, Periodic DFT study of the effect of cocrystalisation on a N-salicylideneaniline molecular switch, ChemPhysChem 20, 2434-2442 (2019).