Center for Molecular Modeling - ICTAC-15 https://molmod.ugent.be/conferences/ictac-15 en A mechanistic investigation of the manganese-salen epoxidation https://molmod.ugent.be/c1_c3_publications/mechanistic-investigation-manganese-salen-epoxidation <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/t-bogaerts" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Bogaerts</a>, <a href="/publication-authors/van-yperen-de-deyne" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Van Yperen-De Deyne</a>, <a href="/publication-authors/s-wouters" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Wouters</a>, <a href="/publication-authors/d-van-neck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. Van Neck</a>, <a href="/publication-authors/p-van-der-voort" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P. Van der Voort</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a> </span> </div> <div class="field field-name-field-isbn-issn field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">ISBN/ISSN:</div> </div> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Talk</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">15th International Conference on Theoretical Aspects of Catalysis (ICTAC15)</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">London, United Kingdom</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2014-06-30T00:00:00+02:00">Monday, 30 June, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-07-04T00:00:00+02:00">Friday, 4 July, 2014</span></span></div> </div> </div> <div class="field field-name-field-abstract-private field-type-file field-label-above"> <h3><div class="field-label">Abstract (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/2014_TB_ictac15_abstract.pdf" type="application/pdf; length=528041">2014_TB_ictac15_abstract.pdf</a></span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/ictac-15" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-15</a> </span> </div> Fri, 11 Apr 2014 09:42:00 +0000 wim 2978 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/mechanistic-investigation-manganese-salen-epoxidation#comments ICTAC-15 https://molmod.ugent.be/travel/ictac-15 <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">London, UK</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2014-06-30T00:00:00+02:00">Monday, 30 June, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-07-04T00:00:00+02:00">Friday, 4 July, 2014</span></span></div> </div> </div> <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Participant(s)</h3> <span class="field-items"> K. De Wispelaere, T. Bogaerts, J. Van der Mynsbrugge, K. Hemelsoet </span> </div> <div class="field field-name-field-a1-project field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Project ref.</h3> <span class="field-items"> FWO mandaat, ERC KINPOR B/10761/* </span> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> ICTAC-15 </span> </div> Fri, 11 Apr 2014 07:59:58 +0000 wim 2977 at https://molmod.ugent.be https://molmod.ugent.be/travel/ictac-15#comments Insight into the formation and reactivity of framework-bound methoxide species in H-ZSM-5 from static and dynamic molecular simulations https://molmod.ugent.be/c1_c3_publications/insight-formation-and-reactivity-framework-bound-methoxide-species-h-zsm-5-static <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/j-van-der-mynsbrugge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Van der Mynsbrugge</a>, <a href="/publication-authors/sl-moors" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S.L. Moors</a>, <a href="/publication-authors/k-de-wispelaere" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. De Wispelaere</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a> </span> </div> <div class="field field-name-field-isbn-issn field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">ISBN/ISSN:</div> </div> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Talk</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">15th International Conference on Theoretical Aspects of Catalysis (ICTAC15)</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">London, United Kingdom</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2014-06-30T00:00:00+02:00">Monday, 30 June, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-07-04T00:00:00+02:00">Friday, 4 July, 2014</span></span></div> </div> </div> <div class="field field-name-field-abstract-private field-type-file field-label-above"> <h3><div class="field-label">Abstract (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/2014_abstract-ICTAC15-jvdm.pdf" type="application/pdf; length=419170">2014_abstract-ICTAC15-jvdm.pdf</a></span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/ictac-15" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-15</a> </span> </div> Fri, 21 Mar 2014 14:24:44 +0000 jeroen 2935 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/insight-formation-and-reactivity-framework-bound-methoxide-species-h-zsm-5-static#comments Molecular dynamics kinetic study on the zeolite-catalyzed methanol conversion process https://molmod.ugent.be/c1_c3_publications/molecular-dynamics-kinetic-study-zeolite-catalyzed-methanol-conversion-process <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/k-de-wispelaere" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. De Wispelaere</a>, <a href="/publication-authors/sl-moors" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S.L. Moors</a>, <a href="/publication-authors/b-ensing" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Ensing</a>, <a href="/publication-authors/k-hemelsoet" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Hemelsoet</a>, <a href="/publication-authors/ej-meijer" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">E.J. Meijer</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a> </span> </div> <div class="field field-name-field-isbn-issn field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">ISBN/ISSN:</div> </div> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Talk</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">15th Int. Conference of Theoretical Aspects of Catalysis (ICTAC-15)</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">London, United Kingdom </div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2014-06-30T00:00:00+02:00">Monday, 30 June, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-07-04T00:00:00+02:00">Friday, 4 July, 2014</span></span></div> </div> </div> <div class="field field-name-field-abstract-private field-type-file field-label-above"> <h3><div class="field-label">Abstract (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/Kristof_DeWispelaere.pdf" type="application/pdf; length=149713">Kristof_DeWispelaere.pdf</a></span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/ictac-15" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-15</a> </span> </div> Tue, 04 Mar 2014 09:02:09 +0000 kristof 2893 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/molecular-dynamics-kinetic-study-zeolite-catalyzed-methanol-conversion-process#comments