Research output per year
Research output per year
Project Details
Description
The Namur-ISCF Center is dedicated to develop the research and teaching aspects in computational physics and chemistry. The SCF Center provides also large scale computing facilities for the theoretical physics and chemistry groups (LPS-CTA-PCI).
| Status | Finished |
|---|---|
| Effective start/end date | 1/01/95 → 31/12/12 |
Keywords
- super computer
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Research output
- 23 Article
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Assessment of DFT exchange-correlation functionals for evaluating the multipolar contributions to the quadratic nonlinear optical responses of small reference molecules
Castet, F. & Champagne, B., 12 Jun 2012, In: Journal of Chemical Theory and Computation. 8, 6, p. 2044-2052 9 p.Research output: Contribution to journal › Article › peer-review
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Combined experimental-theoretical NMR study on 2,5-bis(5-aryl-3- hexylthiophen-2-yl)-thiazolo[5,4-d]thiazole derivatives for printable electronics
Van Mierloo, S., Liégeois, V., Kudrjasova, J., Botek, E., Lutsen, L., Champagne, B., Vanderzande, D., Adriaensens, P. & Maes, W., 1 May 2012, In: Magnetic Resonance in Chemistry. 50, 5, p. 379-387 9 p.Research output: Contribution to journal › Article › peer-review
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
Cecchet, F., Lis, D., Caudano, Y., Mani, A. A., Peremans, A., Champagne, B. & Guthmuller, J., 28 Mar 2012, In: Journal of Physics: Condensed Matter . 24, 12, 124110.Research output: Contribution to journal › Article › peer-review