Formation and Structural, Energetic and Dynamic Properties of Cyclodextrin Host Tubes and Included Guest Molecules

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  PAI n°P7/05 - FS2: Functional Supramolecular Systems (FS2)

  Champagne, B. (CoI), De Vos, D. (PI), Van der Auweraer, M. (CoI), Jérôme, C. (CoI), Lazzaroni, R. (CoI), Marin, G. (CoI), Jonas, A. M. (CoI), Du Prez, F. (CoI), Vanderzande, D. (CoI), Van Tendeloo, G. (CoI), Van Speybroeck, V. (CoI), NENON, S. (Researcher) & STAELENS, N. (Researcher)

  1/04/12 → 30/09/17

  Project: Research

  • Hyperpolarizability 100%
  • nonlinear problems 79%
  • molecules 51%
  • Density Functional Theory 33%
  • optical properties 32%

• consortium des équipements de calcul intensif

  Champagne, B. (CoI)

  1/01/11 → 31/12/22

  Project: Research

  • nonlinear problems 100%
  • Hyperpolarizability 84%
  • simulation 83%
  • molecules 76%
  • investigations 63%

• Study of the formation and of the structural, energetic, and dynamic properties of supramolecular assemblies based on oligomers complexed in cyclodextrin tubules and silver clusters in DNA

  STAELENS, N. (Researcher) & Vercauteren, D. (PI)

  1/10/05 → 26/05/14

  Project: PHD

  • oligosaccharides 100%
  • molecules 100%
  • dynamics 100%
  • Energetics 100%
  • Cyclodextrin 100%