Center for Molecular Modeling - Dr. ir. Karen Hemelsoet https://molmod.ugent.be/promotors/dr-ir-karen-hemelsoet en Ab initio Studie naar de invloed van water op de methanol conversie in H-SAPO-34 https://molmod.ugent.be/thesis/ab-initio-studie-naar-de-invloed-van-water-op-de-methanol-conversie-h-sapo-34 <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> S. Bailleul </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="2015-01-01T00:00:00+01:00">2015</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/dr-ir-karen-hemelsoet" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Dr. ir. Karen Hemelsoet</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/2015_thesis_SBailleul.pdf" type="application/pdf; length=20704535">2015_thesis_SBailleul.pdf</a></span></div> </div> </div> Tue, 23 Sep 2014 07:11:22 +0000 wim 3236 at https://molmod.ugent.be https://molmod.ugent.be/thesis/ab-initio-studie-naar-de-invloed-van-water-op-de-methanol-conversie-h-sapo-34#comments Selective Catalytic Reduction of NOx by ammonia: Unraveling the reaction mechanism through ab initio simulations https://molmod.ugent.be/thesis/selective-catalytic-reduction-nox-ammonia-unraveling-reaction-mechanism-through-ab-initio <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> T. Van Den Heede </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="2014-01-01T00:00:00+01:00">2014</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/dr-ir-karen-hemelsoet" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Dr. ir. Karen Hemelsoet</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/Dissertation_TomVanDenHeede_printfinal.pdf" type="application/pdf; length=4592112">Dissertation_TomVanDenHeede_printfinal.pdf</a></span></div> </div> </div> Thu, 05 Sep 2013 13:35:48 +0000 wim 2553 at https://molmod.ugent.be https://molmod.ugent.be/thesis/selective-catalytic-reduction-nox-ammonia-unraveling-reaction-mechanism-through-ab-initio#comments Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5 https://molmod.ugent.be/thesis/dynamic-ab-initio-study-towards-new-hydrocarbon-pool-cycles-mto-conversion-h-sapo-5 <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> T. Deconinck </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="2014-01-01T00:00:00+01:00">2014</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/dr-ir-karen-hemelsoet" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Dr. ir. Karen Hemelsoet</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/thesis_main_TDeconinck.pdf" type="application/pdf; length=2864302">thesis_main_TDeconinck.pdf</a></span></div> </div> </div> Thu, 05 Sep 2013 13:32:52 +0000 wim 2550 at https://molmod.ugent.be https://molmod.ugent.be/thesis/dynamic-ab-initio-study-towards-new-hydrocarbon-pool-cycles-mto-conversion-h-sapo-5#comments Simulation of vibronic UV-Vis and fluorescence spectra of organic molecules https://molmod.ugent.be/thesis/simulation-vibronic-uv-vis-and-fluorescence-spectra-organic-molecules <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> S. Troch </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 Engineering Physics</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="2014-01-01T00:00:00+01:00">2014</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/dr-ir-karen-hemelsoet" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Dr. ir. Karen Hemelsoet</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/Masterproef_Steven_Troch.pdf" type="application/pdf; length=3417872">Masterproef_Steven_Troch.pdf</a></span></div> </div> </div> Thu, 05 Sep 2013 13:26:47 +0000 wim 2547 at https://molmod.ugent.be https://molmod.ugent.be/thesis/simulation-vibronic-uv-vis-and-fluorescence-spectra-organic-molecules#comments AGGREGATIE VAN AZO KLEURSTOFFEN EN DE INVLOED OP SPECTROSCOPISCHE EIGENSCHAPPEN https://molmod.ugent.be/share/aggregatie-van-azo-kleurstoffen-en-de-invloed-op-spectroscopische-eigenschappen <div class="field field-name-field-academicyear field-type-list-integer field-label-above"> <h3><div class="field-label">Academic year&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">2012-2013</div> </div> </div> <div class="field field-name-field-studyprogramme field-type-list-text field-label-above"> <h3><div class="field-label">Study programme&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">M. Toegepaste Natuurkunde</div> <div class="field-item odd">M. Fysica</div> <div class="field-item even">M. Textielkunde</div> </div> </div> <div class="field field-name-field-suject-category field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Subject category</h3> <span class="field-items"> Chemistry &amp; Biochemistry, Spectroscopy </span> </div> <div class="field field-name-field-subject-reference field-type-text field-label-above"> <h3><div class="field-label">Referentie&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">MM_12_SPEC_08</div> </div> </div> <div class="field field-name-field-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment&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="//molmod.ugent.be/sites/default/files/MM_12_SPEC_08.pdf" type="application/pdf; length=321802">MM_12_SPEC_08.pdf</a></span></div> </div> </div> <div class="field field-name-field-thesis-supervisors field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Promotor(en)</h3> <span class="field-items"> Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Karen Hemelsoet </span> </div> Mon, 26 Mar 2012 10:15:37 +0000 wim 1217 at https://molmod.ugent.be https://molmod.ugent.be/share/aggregatie-van-azo-kleurstoffen-en-de-invloed-op-spectroscopische-eigenschappen#comments THEORETISCHE MODELONTWIKKELING VOOR DE ACCURATE BEREKENING VAN UV-VIS SPECTRA IN NANOPOREUZE MATERIALEN https://molmod.ugent.be/share/theoretische-modelontwikkeling-voor-de-accurate-berekening-van-uv-vis-spectra-nanoporeuze <div class="field field-name-field-academicyear field-type-list-integer field-label-above"> <h3><div class="field-label">Academic year&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">2012-2013</div> </div> </div> <div class="field field-name-field-studyprogramme field-type-list-text field-label-above"> <h3><div class="field-label">Study programme&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">M. Toegepaste Natuurkunde</div> <div class="field-item odd">M. Fysica</div> </div> </div> <div class="field field-name-field-suject-category field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Subject category</h3> <span class="field-items"> Model and software development, Spectroscopy </span> </div> <div class="field field-name-field-subject-reference field-type-text field-label-above"> <h3><div class="field-label">Referentie&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">MM_12_SPEC_07</div> </div> </div> <div class="field field-name-field-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment&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="//molmod.ugent.be/sites/default/files/MM_12_SPEC_07.pdf" type="application/pdf; length=412146">MM_12_SPEC_07.pdf</a></span></div> </div> </div> <div class="field field-name-field-thesis-supervisors field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Promotor(en)</h3> <span class="field-items"> Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Karen Hemelsoet </span> </div> Mon, 26 Mar 2012 10:14:36 +0000 wim 1216 at https://molmod.ugent.be https://molmod.ugent.be/share/theoretische-modelontwikkeling-voor-de-accurate-berekening-van-uv-vis-spectra-nanoporeuze#comments STUDIE VAN EPR ACTIEVE KATALYTISCHE CENTRA IN METAALGESUBSTITUEERDE ZEOLIETEN https://molmod.ugent.be/share/studie-van-epr-actieve-katalytische-centra-metaalgesubstitueerde-zeolieten <div class="field field-name-field-academicyear field-type-list-integer field-label-above"> <h3><div class="field-label">Academic year&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">2012-2013</div> </div> </div> <div class="field field-name-field-studyprogramme field-type-list-text field-label-above"> <h3><div class="field-label">Study programme&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">M. Toegepaste Natuurkunde</div> <div class="field-item odd">M. Fysica</div> </div> </div> <div class="field field-name-field-suject-category field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Subject category</h3> <span class="field-items"> Nanoporous materials, Spectroscopy </span> </div> <div class="field field-name-field-subject-reference field-type-text field-label-above"> <h3><div class="field-label">Referentie&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">MM_12_SPEC_01</div> </div> </div> <div class="field field-name-field-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment&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="//molmod.ugent.be/sites/default/files/MM_12_SPEC_01.pdf" type="application/pdf; length=295184">MM_12_SPEC_01.pdf</a></span></div> </div> </div> <div class="field field-name-field-thesis-supervisors field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Promotor(en)</h3> <span class="field-items"> Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Karen Hemelsoet </span> </div> Mon, 26 Mar 2012 10:07:06 +0000 wim 1210 at https://molmod.ugent.be https://molmod.ugent.be/share/studie-van-epr-actieve-katalytische-centra-metaalgesubstitueerde-zeolieten#comments SELECTIEVE KATALYTISCHE REDUCTIE VAN NOX DOOR AMMONIAK: ONTRAFELING VAN HET REACTIEMECHANISME VIA AB INITIO SIMULATIES https://molmod.ugent.be/share/selectieve-katalytische-reductie-van-nox-door-ammoniak-ontrafeling-van-het-reactiemechanisme <div class="field field-name-field-academicyear field-type-list-integer field-label-above"> <h3><div class="field-label">Academic year&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">2012-2013</div> </div> </div> <div class="field field-name-field-studyprogramme field-type-list-text field-label-above"> <h3><div class="field-label">Study programme&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">M. Chem. Technologie</div> </div> </div> <div class="field field-name-field-suject-category field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Subject category</h3> <span class="field-items"> Nanoporous materials </span> </div> <div class="field field-name-field-subject-reference field-type-text field-label-above"> <h3><div class="field-label">Referentie&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">MM_12_NANO_13</div> </div> </div> <div class="field field-name-field-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment&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="//molmod.ugent.be/sites/default/files/MM_12_NANO_13.pdf" type="application/pdf; length=295921">MM_12_NANO_13.pdf</a></span></div> </div> </div> <div class="field field-name-field-thesis-supervisors field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Promotor(en)</h3> <span class="field-items"> Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Karen Hemelsoet </span> </div> Mon, 26 Mar 2012 10:00:43 +0000 wim 1206 at https://molmod.ugent.be https://molmod.ugent.be/share/selectieve-katalytische-reductie-van-nox-door-ammoniak-ontrafeling-van-het-reactiemechanisme#comments STUDIE VAN RADICALAIRE INTERMEDIAIREN EN BEREKENING VAN DE CORRESPONDERENDE EPR SPECTRA IN NANOPOREUZE MATERIALEN https://molmod.ugent.be/share/studie-van-radicalaire-intermediairen-en-berekening-van-de-corresponderende-epr-spectra <div class="field field-name-field-academicyear field-type-list-integer field-label-above"> <h3><div class="field-label">Academic year&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">2012-2013</div> </div> </div> <div class="field field-name-field-studyprogramme field-type-list-text field-label-above"> <h3><div class="field-label">Study programme&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">M. Toegepaste Natuurkunde</div> <div class="field-item odd">M. Fysica</div> </div> </div> <div class="field field-name-field-suject-category field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Subject category</h3> <span class="field-items"> Nanoporous materials, Spectroscopy </span> </div> <div class="field field-name-field-subject-reference field-type-text field-label-above"> <h3><div class="field-label">Referentie&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">MM_12_NANO_01</div> </div> </div> <div class="field field-name-field-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment&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="//molmod.ugent.be/sites/default/files/MM_12_NANO_01.pdf" type="application/pdf; length=329228">MM_12_NANO_01.pdf</a></span></div> </div> </div> <div class="field field-name-field-thesis-supervisors field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Promotor(en)</h3> <span class="field-items"> Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Karen Hemelsoet </span> </div> Mon, 26 Mar 2012 09:40:30 +0000 wim 1194 at https://molmod.ugent.be https://molmod.ugent.be/share/studie-van-radicalaire-intermediairen-en-berekening-van-de-corresponderende-epr-spectra#comments