T. Verstraelen

Insights on the adsorption behavior of aromatics in MIL-47 and MIL-53 from a theoretical perspective

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11th Netherlands Catalysis and Chemistry Conference (NCCC-XI)
Noordwijkerhout, The Netherlands
Monday, 1 March, 2010 to Wednesday, 3 March, 2010

The electronegativity equalization method and the split charge equilibration applied to organic systems: parameterization, validation and comparison

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Advances in the Implementation of Polarizable Force Fields for Molecular Simulations
Lausanne, Switzerland
Monday, 7 June, 2010 to Wednesday, 9 June, 2010

Development of first principle based force fields to describe adsorption and diffusion in MOFs including lattice dynamics

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Metal Organic Frameworks (MOF 2010)
Marseille, France
Sunday, 5 September, 2010 to Wednesday, 8 September, 2010

Non-covalent force field expressed in terms of spherical density functions

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255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water a
New Orleans, LA, USA
Sunday, 18 March, 2018 to Thursday, 22 March, 2018

Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations

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Hybrid Materials Group
Cambridge, United Kingdom
Wednesday, 21 August, 2019

Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations

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The Grey Group
Cambridge, United Kingdom
Tuesday, 20 August, 2019

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