Tuning Nonlinear Optical Properties by Altering the Diradical and Charge-Transfer Characteristics of Chichibabin's Hydrocarbon Derivatives

Résultats de recherche

• Terminé

  Quantum chemical design of open-shell nonlinear optical materials

  Champagne, B., SEIDLER, T., DE WERGIFOSSE, M. & Nakano, M.

  1/04/14 → 31/12/21

  Projet: Recherche

  • Hyperpolarizability 100%
  • Nonlinear Optical Property 59%
  • Hydrocarbon 47%
  • Chemical Bond 43%
  • Purity 42%

• Functional Supramolecular Systems (IUAP No. P7/5) – Modeling the nonlinear optical properties of functionalized surfaced and complex systems

  NENON, S. & Champagne, B.

  1/06/12 → 31/12/13

  Projet: Projet de thèse

  • Nonlinear Optical Property 100%
  • Hyperpolarizability 66%
  • Electric Field 44%
  • Electronic State 44%
  • Purity 35%

• consortium des équipements de calcul intensif

  Champagne, B.

  1/01/11 → 31/12/22

  Projet: Recherche

  • Molecule 100%
  • Procedure 91%
  • Structure 88%
  • Hyperpolarizability 88%
  • Graphene 67%