L. Vanduyfhuys
Ab initio force fields for flexible nanoporous materials
Elastische anisotropie als predictor voor het ademen van metaal-organische roosters
High-throughput Pareto-zoektocht naar hoogperformante metaal-organische roosters
Modelering van luminescente materialen via moleculaire dynamica van geexciteerde toestanden
Empty host breathing profiles of MIL-53 type frameworks with various cations at the nodal points
Poster
Conference / event / venue
MOF2012
Edinburgh UK
Sunday, 16 September, 2012 to Wednesday, 19 September, 2012
Derivation of generic force field terms & Applications to describe thermodynamics of nanoporous materials
Talk
Conference / event / venue
IAP P7/05 Platform 3 meeting
Namur, Belgium
Thursday, 10 January, 2013
Ab initio parametrised force field for the flexible Metal-Organic Framework MIL-53(Al)
p.
ISBN/ISSN:
Poster
Conference / event / venue
MOF2012
Edinburgh, United Kingdom
Sunday, 16 September, 2012 to Wednesday, 19 September, 2012
Using density functional theory for estimating force field parameters
P36
Poster
Conference / event / venue
DFTM2012
Ghent University, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Ab initio parametrized force field for the metal-organic framework MIL-53(Al) to study its framework flexibility
p. 95-96
Poster
Conference / event / venue
ICTAC-14
Vlissingen, The Netherlands
Tuesday, 26 June, 2012 to Saturday, 30 June, 2012