Center for Molecular Modeling - Prof. Dr. ir. A. Ghysels https://molmod.ugent.be/promotors/prof-dr-ir-ghysels-0 en Adsorption energies of isobutene cracking intermediates in zeolites: how accurately can they be determined by first-principle methods https://molmod.ugent.be/thesis/adsorption-energies-isobutene-cracking-intermediates-zeolites-how-accurately-can-they-be <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> F. Vandamme </span> </div> <div class="field field-name-field-courses field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Master of Science in Chemical Engineering</div> </div> </div> <div class="field field-name-field-master-year field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2018-01-01T00:00:00+01:00">2018</span></div> </div> </div> <div class="field field-name-field-promotoren field-type-taxonomy-term-reference field-label-inline clearfix"> <h3 class="field-label">Supervisors</h3> <span class="field-items"> <a href="/promotors/prof-dr-ir-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a>, <a href="/promotors/prof-dr-ir-ghysels-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. A. Ghysels</a> </span> </div> Tue, 03 Oct 2017 13:02:20 +0000 wim 4923 at https://molmod.ugent.be https://molmod.ugent.be/thesis/adsorption-energies-isobutene-cracking-intermediates-zeolites-how-accurately-can-they-be#comments Explicit sampling of the unit cell shape for a more accurate estimation of the free energy profile for flexible crystals https://molmod.ugent.be/thesis/explicit-sampling-unit-cell-shape-more-accurate-estimation-free-energy-profile-flexible <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> S. Caroes </span> </div> <div class="field field-name-field-courses field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Master of Science in Physics and Astronomy</div> </div> </div> <div class="field field-name-field-master-year field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2016-01-01T00:00:00+01:00">2016</span></div> </div> </div> <div class="field field-name-field-promotoren field-type-taxonomy-term-reference field-label-inline clearfix"> <h3 class="field-label">Supervisors</h3> <span class="field-items"> <a href="/promotors/prof-dr-ir-ghysels-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. A. Ghysels</a>, <a href="/promotors/prof-dr-ir-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a> </span> </div> <div class="field field-name-field-private-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/scriptie%281%29.pdf" type="application/pdf; length=7322044">scriptie(1).pdf</a></span></div> </div> </div> Mon, 31 Aug 2015 07:08:20 +0000 wim 3899 at https://molmod.ugent.be https://molmod.ugent.be/thesis/explicit-sampling-unit-cell-shape-more-accurate-estimation-free-energy-profile-flexible#comments