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
L. Vanduyfhuys
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
Valence Force Fields for Microporous Materials
p. 114-115
Talk
Conference / event / venue
ICTAC-14
Vlissingen, The Netherlands
Tuesday, 26 June, 2012 to Saturday, 30 June, 2012
Diffusion and adsorption of aromatic guests in MOFs studied by ab initio and force field simulations including lattice dynamics
P 140-144
Poster
Conference / event / venue
MOF2010 conference
Marseille, France
Sunday, 5 September, 2010 to Wednesday, 8 September, 2010
Developement of reliable force fields for molecular simulations of metal-organic frameworks
Poster
Conference / event / venue
FirW PhD symposium 2010
Ghent Univeristy, Faculty of Engineering, Ghent, Belgium
Wednesday, 1 December, 2010
Development of reliable force fields for metal-organic frameworks
Talk
Conference / event / venue
IAP-WP3 meeting
Leuven, Belgium
Thursday, 16 September, 2010
Ontwikkeling van betrouwbare krachtvelden voor moleculaire simulaties van metaal-organische roosters
Master of Science in Engineering Physics
2010
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