Research output per year
Research output per year
Research output
- 23 Article
- 23 results
Search results
-
2012
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
-
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
-
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
-
Enhanced intramolecular charge transfer in new type donor-acceptor substituted perylenes
Vasilev, A. A., Li, C., Müllen, K., De Mey, K., Asselberghs, I., Clays, K., Champagne, B., Angelova, S. E. & Spassova, M. I., 1 Nov 2012, In: Journal of Physical Chemistry C: Nanomaterials and interfaces. 116, 43, p. 22711-22719 9 p.Research output: Contribution to journal › Article › peer-review
22 Downloads (Pure) -
Functionalized dithienylthiazolo[5, 4-d]thiazoles for solution-processable organic field-effect transistors
Van Mierloo, S., Vasseur, K., Van Den Brande, N., Boyukbayram, A. E., Ruttens, B., Rodriguez, S. D., Botek, E., Liégeois, V., D'Haen, J., Adriaensens, P. J., Heremans, P., Champagne, B., Van Assche, G., Lutsen, L., Vanderzande, D. J. & Maes, W., 1 Oct 2012, In: ChemPlusChem. 77, 10, p. 923-930 8 p.Research output: Contribution to journal › Article › peer-review
-
Implementation in the Pyvib2 program of the localized mode method and application to a helicene
Liégeois, V. & Champagne, B., 1 Jan 2012, In: Theoretical Chemistry Accounts: Theory, Computation, and Modeling. 131, 11, p. 1-15 15 p.Research output: Contribution to journal › Article › peer-review
-
Nonlinear optical molecular switches as selective cation sensors
Champagne, B., Plaquet, A., Pozzo, J-L., Rodriguez, V. & Castet, F., 16 May 2012, In: Journal of the American Chemical Society. 134, 19, p. 8101-8103 3 p.Research output: Contribution to journal › Article › peer-review
-
Theoretical design of the molecular structure of bent-core mesogens with large second-order nonlinear optical properties.
Champagne, B., Guthmuller, J., Perreault, F. & Soldera, A., 5 Apr 2012, In: Journal of Physical Chemistry C: Nanomaterials and interfaces. 116, 13, p. 7552-7560 9 p.Research output: Contribution to journal › Article › peer-review
-
Towards modelling the vibrational signatures of functionalized surfaces: Carboxylic acids on H-Si(111) surfaces
Tetsassi Feugmo, C. G., Champagne, B., Caudano, Y., Cecchet, F., Chabal, Y. J. & Liégeois, V., 28 Mar 2012, In: Journal of Physics: Condensed Matter . 24, 12, 11 p., 124111.Research output: Contribution to journal › Article › peer-review
-
2011
Nonlinear optical switching behavior in the solid state: A theoretical investigation on anils
Ségerie, A., Castet, F., Kanoun, M. B., Plaquet, A., Liégeois, V. & Champagne, B., 13 Sept 2011, In: Chemistry of Materials. 23, 17, p. 3993-4001 9 p.Research output: Contribution to journal › Article › peer-review
-
Theoretical investigation of raman optical activity signatures of Tröger's base
Liégeois, V. & Champagne, B., 24 Nov 2011, In: Journal of physical chemistry A. 115, 46, p. 13706-13713 8 p.Research output: Contribution to journal › Article › peer-review
-
2010
Combined experimental and theoretical study on the raman and raman optical activity signatures of pentamethylundecane diastereoisomers
Drooghaag, X., Marchand-Brynaert, J., Champagne, B. & Liégeois, V., 16 Sept 2010, In: Journal of physical chemistry. B. 114, 36, p. 11753-11760 8 p.Research output: Contribution to journal › Article › peer-review
-
On the aromatic character of 1,2-Dihydro-1,2-azaborine according to magnetic criteria
Carion, R., Liégeois, V., Champagne, B., Bonifazi, D., Pelloni, S. & Lazzeretti, P., 20 May 2010, In: Journal of Physical Chemistry Letters. 1, 10, p. 1563-1568 6 p.Research output: Contribution to journal › Article › peer-review
10 Downloads (Pure) -
2009
A vibrational raman optical activity study of 1, 1′ -binaphthyl derivatives
Liégeois, V., 24 Aug 2009, In: ChemPhysChem. 10, 12, p. 2017-2025 9 p.Research output: Contribution to journal › Article › peer-review
-
Vibrational raman optical activity of π-conjugated helical systems: Hexahelicene and heterohelicenes
Liégeois, V. & Champagne, B., 1 Jun 2009, In: Journal of Computational Chemistry. 30, 8, p. 1261-1278 18 p.Research output: Contribution to journal › Article › peer-review
-
2008
Rototranslational sum rules for electromagnetic hypershielding at the nuclei and related atomic Cartesian derivatives of the optical rotatory power
Liégeois, V., Champagne, B. & Lazzeretti, P., 1 Jan 2008, In: The journal of chemical physics. 128, 24, p. 244107 10 p.Research output: Contribution to journal › Article › peer-review
-
2007
An analytical derivative procedure for the calculation of vibrational Raman optical activity spectra
Liégeois, V., Ruud, K. & Champagne, B., 28 Nov 2007, In: Journal of chemical physics. 127, 20, p. 204105 6 p.Research output: Contribution to journal › Article › peer-review
-
Time-dependent density functional theory investigation of the absorption and emission spectra of a cyanine dye
Guillaume, M., Liégeois, V., Champagne, B. & Zutterman, F., 26 Sept 2007, In: Chemical Physics Letters. 446, 1-3, p. 165-169 5 p.Research output: Contribution to journal › Article › peer-review
10 Downloads (Pure) -
2006
Analysis of the VROA signals of helical heptasilanes using an atomistic approach
Liégeois, V., Quinet, O., Champagne, B., Haesler, J., Zuber, G. & Hug, W., 24 Nov 2006, In: Vibrational Spectroscopy. 42, 2, p. 309-316 8 p.Research output: Contribution to journal › Article › peer-review
5 Downloads (Pure) -
Investigation of polyethylene helical conformations: Theoretical study by vibrational Raman optical activity
Liégeois, V., Quinet, O. & Champagne, B., 1 Dec 2006, In: International Journal of Quantum Chemistry. 106, 15, p. 3097-3107 11 p.Research output: Contribution to journal › Article › peer-review
-
Theoretical determination of the vibrational raman optical activity signatures of helical polypropylene chains
Lamparska, E., Liégeois, V., Quinet, O. & Champagne, B., 13 Nov 2006, In: ChemPhysChem. 7, 11, p. 2366-2376 11 p.Research output: Contribution to journal › Article › peer-review
-
2005
TDHF evaluation of the dipole-quadrupole polarizability and its geometrical derivatives
Quinet, O., Liégeois, V. & Champagne, B., 2 Apr 2005, In: Journal of Chemical Theory and Computation. 1, 3, p. 444-452 9 p.Research output: Contribution to journal › Article › peer-review
-
Vibrational Raman optical activity as a mean for revealing the helicity of oligosilanes: A quantum chemical investigation
Liégeois, V., Quinet, O. & Champagne, B., 1 Jun 2005, In: Journal of chemical physics. 122, 21Research output: Contribution to journal › Article › peer-review