D.E.P. Vanpoucke

Functionalized Metal-Organic Frameworks: MIL-47(V)+X : a computational investigation of its properties

D.E.P. Vanpoucke, S. Biswas, T. Verstraelen, M. Vandichel, S. Couck, K. Leus, Y-Y Liu, M. Waroquier, V. Van Speybroeck, J.F.M. Denayer, P. Van der Voort

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ISBN/ISSN: -

Poster

Conference / event / venue

Annual IAP Meeting

Ghent, Belgium

Wednesday, 18 September, 2013

A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials

L. Vanduyfhuys, T. Verstraelen, D.E.P. Vanpoucke, M. Waroquier, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

MACADEMIA Annual Meeting

Brussels, Belgium

Monday, 10 June, 2013 to Tuesday, 11 June, 2013

Calculating Hirshfeld-I charges in solids: Implementation, pitfalls and applications

D.E.P. Vanpoucke, S. Van Damme, S. Cottenier, P. Bultinck, I. Van Driessche, V. Van Speybroeck

CMN4

ISBN/ISSN:

Talk

Conference / event / venue

Belgian Physical Society Meeting

Louvain-la-neuve, Belgium

Wednesday, 22 May, 2013

Useful and Elegant Atoms in Molecules

Partitionering van een moleculaire dichtheidsmatrix over de atomen

Dr. Dr. Danny Vanpoucke

More up-to-date information on my research and interests can be found on my personal webpage .

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