Functionalized Metal-Organic Frameworks: MIL-47(V)+X : a computational investigation of its properties
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
V. Van Speybroeck
ACKS2: Atom-condensed Kohn-Sham DFT approximated to 2nd order
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
Ab initio metadynamics study on the zeolite-catalyzed benzene methylation in ZSM-5
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
Detail insight in the catalytic activity of UiO-66 type materials
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
Identification of intermediates in zeolite-catalyzed reactions using in-situ UV/Vis micro-spectroscopy and a complementary set of molecular simulations
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
Design of enantioselective catalysts in MOF architectures: a combined computational and experimental approach
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
Vibrational fingerprint of spectroscopic properties
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
QuickFF: a generally applicable methodology to quickly derive accurate force fields from ab initio input
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
Halochromic properties of sulfonphthaleine dyes
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
Ab initio metadynamics study on the zeolite-catalyzed benzene methylation in ZSM-5
ISBN/ISSN:
Poster
Conference / event / venue
Molecular Kinetics 2013
Berlin, Germany
Monday, 2 September, 2013 to Thursday, 5 September, 2013
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