Projects per year
Abstract
Using theoretical simulations on polyethylene segments, it is demonstrated that vibrational Raman optical activity is highly sensitive to helicity, more than the conventional Raman technique. Therefore, it can be used to probe helicity and conformations of synthetic polymers.
| Original language | English |
|---|---|
| Pages (from-to) | 3097-3107 |
| Number of pages | 11 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 106 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - 1 Dec 2006 |
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Dive into the research topics of 'Investigation of polyethylene helical conformations: Theoretical study by vibrational Raman optical activity'. Together they form a unique fingerprint.Projects
- 1 Finished
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Development of the ISCF Center
Champagne, B. (PI), VIGNERON, J.-P. (PI), Derycke, I. (Support role), Fripiat, J. (Researcher), Lambin, P. (Researcher), Schievekamp, I. (Support role), Vercauteren, D. (Researcher), Wautelet, F. (Support role) & Wouters, J. (CoI)
1/01/95 → 31/12/12
Project: Research
Equipment
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High Performance Computing Technology Platform
Champagne, B. (Manager)
Technological Platform High Performance ComputingFacility/equipment: Technological Platform
Student theses
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A vibrational Raman Optical Activity study of helical oligomers
Liégeois, V. (Author), Champagne, B. (Supervisor), 2006Student thesis: DEA types › DEA in Chemistry
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Elaboration of quantum chemistry methods for predicting and interpreting vibrational Raman optical activity: applications to helical structures
Liégeois, V. (Author), Thiry, P. (Jury), Verbiest, T. (Jury), Hug, W. (Jury), Ruud, K. (Jury), Su, B. L. (Jury) & Champagne, B. (Supervisor), 19 Jun 2008Student thesis: Doc types › Doctor of Sciences