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Danny Vanpoucke
Tytuł
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Formation of Pt-induced Ge atomic nanowires on Pt/Ge (001): A density functional theory study
DEP Vanpoucke, G Brocks
Physical Review B 77 (24), 241308, 2008
1732008
Understanding intrinsic light absorption properties of UiO-66 frameworks: a combined theoretical and experimental study
K Hendrickx, DEP Vanpoucke, K Leus, K Lejaeghere, ...
Inorganic chemistry 54 (22), 10701-10710, 2015
1672015
First-Principles Study of Antisite Defect Configurations in ZnGa2O4:Cr Persistent Phosphors
A De Vos, K Lejaeghere, DEP Vanpoucke, JJ Joos, PF Smet, ...
Inorganic chemistry 55 (5), 2402-2412, 2016
1142016
A Flexible Photoactive Titanium Metal–Organic Framework Based on a [TiIV33‐O)(O)2(COO)6] Cluster
B Bueken, F Vermoortele, DEP Vanpoucke, H Reinsch, CC Tsou, ...
Angewandte Chemie International Edition 54 (47), 13912-13917, 2015
1142015
Aliovalent doping of CeO 2: DFT study of oxidation state and vacancy effects
DEP Vanpoucke, P Bultinck, S Cottenier, V Van Speybroeck, ...
Journal of Materials Chemistry A 2 (33), 13723-13737, 2014
1042014
New Functionalized Metal–Organic Frameworks MIL-47-X (X = −Cl, −Br, −CH3, −CF3, −OH, −OCH3): Synthesis, Characterization, and CO2 Adsorption Properties
S Biswas, DEP Vanpoucke, T Verstraelen, M Vandichel, S Couck, K Leus, ...
The Journal of Physical Chemistry C 117 (44), 22784-22796, 2013
942013
Extending Hirshfeld‐I to bulk and periodic materials
DEP Vanpoucke, P Bultinck, I Van Driessche
Journal of Computational Chemistry 34 (5), 405-417, 2013
922013
Density functional theory study of LaCeO: Disordered fluorite versus pyrochlore structure
DEP Vanpoucke, P Bultinck, S Cottenier, V Van Speybroeck, ...
Physical Review B 84 (5), 054110, 2011
502011
Mechanical properties from periodic plane wave quantum mechanical codes: the challenge of the flexible nanoporous MIL-47 (V) framework
DEP Vanpoucke, K Lejaeghere, V Van Speybroeck, M Waroquier, ...
The Journal of Physical Chemistry C 119 (41), 23752-23766, 2015
472015
Tetravalent Doping of CeO2: The Impact of Valence Electron Character on Group IV Dopant Influence
DEP Vanpoucke, S Cottenier, V Van Speybroeck, I Van Driessche, ...
Journal of the American Ceramic Society 97 (1), 258-266, 2014
462014
Pt-induced nanowires on Ge (001): A density functional theory study
DEP Vanpoucke, G Brocks
Physical Review B 81 (8), 085410, 2010
462010
Rationality: A social-epistemology perspective
S Wenmackers, DEP Vanpoucke, I Douven
Frontiers in psychology 5, 581, 2014
432014
Probability of inconsistencies in theory revision: a multi-agent model for updating logically interconnected beliefs under bounded confidence
S Wenmackers, DEP Vanpoucke, I Douven
The European Physical Journal B 85, 1-15, 2012
412012
Mechanochemical route to the synthesis of nanostructured Aluminium nitride
SA Rounaghi, H Eshghi, S Scudino, A Vyalikh, DEP Vanpoucke, ...
Scientific reports 6 (1), 33375, 2016
362016
Reply to ‘comment on “extending Hirshfeld‐I to bulk and periodic materials”’
DEP Vanpoucke, I Van Driessche, P Bultinck
Journal of Computational Chemistry 34 (5), 422-427, 2013
352013
Aqueous CSD approach for the growth of novel, lattice-tuned La x Ce 1− x O δ epitaxial layers
V Narayanan, P Lommens, K De Buysser, DEP Vanpoucke, R Huehne, ...
Journal of Materials Chemistry 22 (17), 8476-8483, 2012
352012
Can europium atoms form luminescent centres in diamond: A combined theoretical–experimental study
DEP Vanpoucke, SS Nicley, J Raymakers, W Maes, K Haenen
Diamond and Related Materials 94, 233-241, 2019
322019
Tuning of CeO2 buffer layers for coated superconductors through doping
DEP Vanpoucke, S Cottenier, V Van Speybroeck, P Bultinck, ...
Applied surface science 260, 32-35, 2012
312012
Modeling 1D structures on semiconductor surfaces: synergy of theory and experiment
DEP Vanpoucke
Journal of Physics: Condensed Matter 26 (13), 133001, 2014
282014
Convergence of atomic charges with the size of the enzymatic environment
DEP Vanpoucke, J Oláh, F De Proft, V Van Speybroeck, G Roos
Journal of chemical information and modeling 55 (3), 564-571, 2015
272015
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