Assessing density functional theory approaches for predicting the structure and relative energy of salicylideneaniline molecular switches in the solid state

Jean Quertinmont, Andrea Carletta, Nikolay A. Tumanov, Tom Leyssens, Johan Wouters, Benoît Champagne

Unit of theoretical and structural physico-chemistry

Research output: Contribution to journal › Article › peer-review

1 Active
3 Finished

4 results

Active
Theoretical study of the thermochromism of organic compounds in the crystalline solid state
Quertinmont, J. (PI) & Champagne, B. (Supervisor)
1/01/16 → …
Project: PHD
Finished
ARC 15/20-068: Improving the Photochromism and Thermochromism in the Solid State by Co-crystallization : an Integrated Physico-chemical Approach
Champagne, B. (PI), Wouters, J. (PI) & Leyssens, T. (PI)
1/09/15 → 31/12/20
Project: Research
Subvention - Professeur de recherche Francqui
Nakano, M. (Support role) & Castet, F. (Support role)
1/09/12 → 31/12/15
Project: Research
consortium des équipements de calcul intensif
Champagne, B. (CoI)
1/01/11 → 31/12/22
Project: Research