Research Output per year
Personal profile
Keywords
- QC Physics
- Density Functional Theory
- Electronic structure
- modelling
- simulation
- STM
- vibrational modes
- defects
- QD Chemistry
- Conceptual DFT
- atoms-in-molecules
- quantum chemistry
- spin
Research Output
UV-Curable Biobased Polyacrylates Based on a Multifunctional Monomer Derived from Furfural
Stouten, J., Vanpoucke, D. E. P., Van Assche, G. & Bernaerts, K. V., 25 Feb 2020, In : Macromolecules. 53, 4, p. 1388-1404 17 p.Research output: Contribution to journal › Article › Academic › peer-review
Can europium atoms form luminescent centres in diamond: A combined theoretical-experimental study
Vanpoucke, D. E. P., Nicley, S. S., Raymakers, J., Maes, W. & Haenen, K., Apr 2019, In : Diamond and Related Materials. 94, p. 233-241 9 p.Research output: Contribution to journal › Article › Academic › peer-review
Predicting partial atomic charges in siliceous zeolites
Wolffis, J. J., Vanpoucke, D. E. P., Sharma, A., Lawler, K. V. & Forster, P. M., 15 Mar 2019, In : Microporous and Mesoporous Materials. 277, p. 184-196 13 p.Research output: Contribution to journal › Article › Academic › peer-review
Synthesis, characterization and thermodynamic stability of nanostructured epsilon-iron carbonitride powder prepared by a solid-state mechanochemical route
Rounaghi, S. A., Vanpoucke, D. E. P., Esmaeili, E., Scudino, S. & Eckert, J., 25 Mar 2019, In : Journal of Alloys and Compounds. 778, p. 327-336 10 p.Research output: Contribution to journal › Article › Academic › peer-review
Computational Chemistry Experiment Possibilities
Vanpoucke, D. & Szyja, B., 11 Apr 2018, Zeolites and Metal-Organic Frameworks: From Lab to Industry. Atlantis Press, p. 235-264 30 p.Research output: Chapter in Book/Report/Conference proceeding › Chapter › Academic