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Prof. Dr. ir. A. Ghysels

Adsorption energies of isobutene cracking intermediates in zeolites: how accurately can they be determined by first-principle methods

F. Vandamme
Master of Science in Chemical Engineering
2018

Supervisors

Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. A. Ghysels
  • Read more about Adsorption energies of isobutene cracking intermediates in zeolites: how accurately can they be determined by first-principle methods

Explicit sampling of the unit cell shape for a more accurate estimation of the free energy profile for flexible crystals

S. Caroes
Master of Science in Physics and Astronomy
2016

Supervisors

Prof. Dr. ir. A. Ghysels, Prof. Dr. ir. Veronique Van Speybroeck
  • Read more about Explicit sampling of the unit cell shape for a more accurate estimation of the free energy profile for flexible crystals
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