화학공학소재연구정보센터
검색결과 : 15건
No. Article
1 First-Principles Study of Antisite Defect Configurations in ZnGa2O4:Cr Persistent Phosphors
De Vos A, Lejaeghere K, Vanpoucke DEP, Joos JJ, Smet PF, Hemelsoet K
Inorganic Chemistry, 55(5), 2402, 2016
2 Understanding Intrinsic Light Absorption Properties of UiO-66 Frameworks: A Combined Theoretical and Experimental Study
Hendrickx K, Vanpoucke DEP, Leus K, Lejaeghere K, Van Yperen-De Deyne A, Van Speybroeck V, Van Der Voort P, Hemelsoet K
Inorganic Chemistry, 54(22), 10701, 2015
3 How zeolitic acid strength and composition alter the reactivity of alkenes and aromatics towards methanol
Erichsen MW, De Wispelaere K, Hemelsoet K, Moors SLC, Deconinck T, Waroquier M, Svelle S, Van Speybroeck V, Olsbye U
Journal of Catalysis, 328, 186, 2015
4 Complete low-barrier side-chain route for olefin formation during methanol conversion in H-SAPO-34
De Wispelaere K, Hemelsoet K, Waroquier M, Van Speybroeck V
Journal of Catalysis, 305, 76, 2013
5 Experimental and theoretical IR study of methanol and ethanol conversion over H-SAPO-34
Hemelsoet K, Ghysels A, Mores D, De Wispelaere K, Van Speybroeck V, Weckhuysen BM, Waroquier M
Catalysis Today, 177(1), 12, 2011
6 First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions
Van Speybroeck V, Van der Mynsbrugge J, Vandichel M, Hemelsoet K, Lesthaeghe D, Ghysels A, Marin GB, Waroquier M
Journal of the American Chemical Society, 133(4), 888, 2011
7 Bond Dissociation Energies of Organophosphorus Compounds: an Assessment of Contemporary Ab Initio Procedures
Hemelsoet K, Van Durme F, Van Speybroeck V, Reyniers MF, Waroquier M
Journal of Physical Chemistry A, 114(8), 2864, 2010
8 Modeling the Solvent Effect on the Tacticity in the Free Radical Polymerization of Methyl Methacrylate
Degirmenci I, Eren S, Aviyente V, De Sterck B, Hemelsoet K, Van Speybroeck V, Waroquier M
Macromolecules, 43(13), 5602, 2010
9 Bond Dissociation Enthalpies of Large Aromatic Carbon-Centered Radicals
Hemelsoet K, Van Speybroeck V, Waroquier M
Journal of Physical Chemistry A, 112(51), 13566, 2008
10 How useful are reactivity indicators for the description of hydrogen abstraction reactions on polycyclic aromatic hydrocarbons?
Hemelsoet K, Van Speybroeck V, Waroquier M
Chemical Physics Letters, 444(1-3), 17, 2007