A molecular loaded dice: When the π conjugation breaks the statistical addressability of an octastate multimodal molecular switch

Résultats de recherche

• Terminé

  CÉCI – Consortium des Équipements de Calcul Intensif

  CHAMPAGNE, B., Lazzaroni, R., Geuzaine , C., Chatelain, P. & Knaepen, B.

  1/01/18 → 31/12/22

  Projet: Recherche

  • Density Functional Theory 100%
  • Hyperpolarizability 68%
  • Structure 66%
  • Donor 64%
  • Optics 62%

• Moriarty: Multi or individual addressability of multi-responsive topological system

  CHAMPAGNE, B., Sanguinet, L., Beaujean, P. & Quertinmont, J.

  1/01/17 → 31/12/18

  Projet: Recherche

  • Oxazolidine 100%
  • Density Functional Theory 50%
  • Depolarization 33%
  • Structure 33%
  • Second Order 33%