Theoretical Investigation of the Structure of Cyclodextrin Tubules

Original language	English
Pages (from-to)	6-12
Number of pages	7
Journal	Chimie nouvelle
Volume	107
Publication status	Published - 2011

Projects

• 3 Finished

Projects per year

• consortium des équipements de calcul intensif

  Champagne, B.

  1/01/11 → 31/12/22

  Project: Research

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

• 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. & Vercauteren, D.

  1/10/05 → 26/05/14

  Project: PHD

  • Energetics 100%
  • Cyclodextrin 100%
  • Molecule 75%
  • Deoxyribonucleic Acid 50%
  • Oligomer 50%

• FSR: Simulations of structural, energetic, and dynamical properties of cyclodextrin-based supramolecular assemblies

  Leherte, L., Vercauteren, D., BRIQUET, L. & Dury, L.

  22/11/01 → 1/10/05

  Project: Research

  • Cyclodextrin 100%
  • Energetics 100%
  • Rotaxane 75%
  • Azobenzene 50%
  • Molecular Dynamics 31%

Equipment

• High Performance Computing Technology Platform

  Benoît Champagne (Manager)

  Technological Platform High Performance Computing

  Facility/equipment: Technological Platform

  • Hyperpolarizability 100%
  • Molecule 97%
  • Procedure 92%
  • Structure 76%
  • Density Functional Theory 71%

Student theses

• Etude de la formation de tubules organiques non-covalents par des méthodes de la chimie théorique

  Author: Staelens, N., 2007

  Supervisor: Vercauteren, D. (Supervisor) & Leherte, L. (Co-Supervisor)

  Student thesis: DEA types › DEA in Chemistry

• Étude de la formation et des propriétés dynamiques, conformationelles et énergétiques d'assemblages supramoléculaires à base de nanotubes organiques et d'agrégats d'argent dans des brins d'ADN

  Author: Staelens, N., 26 May 2014

  Supervisor: Vercauteren, D. (Supervisor), Leherte, L. (President), Champagne, B. (Jury), Bonifazi, D. (Jury) & Laaksonen, A. (External person) (Jury)

  Student thesis: Doc types › Doctor of Sciences

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Staelens, N., Leherte, L., & Vercauteren, D. (2011). Theoretical Investigation of the Structure of Cyclodextrin Tubules. Chimie nouvelle, 107, 6-12.

Staelens, Nicolas ; Leherte, Laurence ; Vercauteren, Daniel. / Theoretical Investigation of the Structure of Cyclodextrin Tubules. In: Chimie nouvelle. 2011 ; Vol. 107. pp. 6-12.

@article{024f92319ed84065a9ac92f847036969,

title = "Theoretical Investigation of the Structure of Cyclodextrin Tubules",

author = "Nicolas Staelens and Laurence Leherte and Daniel Vercauteren",

year = "2011",

language = "English",

volume = "107",

pages = "6--12",

journal = "Chimie nouvelle",

}

Staelens, N, Leherte, L & Vercauteren, D 2011, 'Theoretical Investigation of the Structure of Cyclodextrin Tubules', Chimie nouvelle, vol. 107, pp. 6-12.

Theoretical Investigation of the Structure of Cyclodextrin Tubules. / Staelens, Nicolas; Leherte, Laurence; Vercauteren, Daniel.
In: Chimie nouvelle, Vol. 107, 2011, p. 6-12.

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

TY - JOUR

T1 - Theoretical Investigation of the Structure of Cyclodextrin Tubules

AU - Staelens, Nicolas

AU - Leherte, Laurence

AU - Vercauteren, Daniel

PY - 2011

Y1 - 2011

M3 - Article

VL - 107

SP - 6

EP - 12

JO - Chimie nouvelle

JF - Chimie nouvelle

ER -

Staelens N, Leherte L, Vercauteren D. Theoretical Investigation of the Structure of Cyclodextrin Tubules. Chimie nouvelle. 2011;107:6-12.