Center for Molecular Modeling - EUROPACAT 2017 https://molmod.ugent.be/conferences/europacat-2017-0 en The extraordinary amphoteric nature of defective UiO-66 in catalytic reactions https://molmod.ugent.be/c1_c3_publications/extraordinary-amphoteric-nature-defective-uio-66-catalytic-reactions <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-hajek" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Hajek</a>, <a href="/publication-authors/b-beuken" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Beuken</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">Europacat 2017</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">Florence, Italy</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="2017-08-27T00:00:00+02:00">Sunday, 27 August, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-08-31T00:00:00+02:00">Thursday, 31 August, 2017</span></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/europacat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROPACAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:45:20 +0000 wim 4899 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/extraordinary-amphoteric-nature-defective-uio-66-catalytic-reactions#comments Modeling zeolite catalysis at operating conditions: an advanced molecular dynamics benchmark study https://molmod.ugent.be/c1_c3_publications/modeling-zeolite-catalysis-operating-conditions-advanced-molecular-dynamics-0 <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/s-bailleul" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Bailleul</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/r-demuynck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">R. Demuynck</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">Europacat 2017</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">Florence, Italy</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="2017-08-27T00:00:00+02:00">Sunday, 27 August, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-08-31T00:00:00+02:00">Thursday, 31 August, 2017</span></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/europacat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROPACAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:44:27 +0000 wim 4898 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/modeling-zeolite-catalysis-operating-conditions-advanced-molecular-dynamics-0#comments First principle study of active sites on UiO-66 for Fischer esterification https://molmod.ugent.be/c1_c3_publications/first-principle-study-active-sites-uio-66-fischer-esterification <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/c-caratelli" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C. Caratelli</a>, <a href="/publication-authors/j-hajek" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Hajek</a>, <a href="/publication-authors/f-g-cirujano" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F. G. Cirujano</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/fx-llabres-i-xamena" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F.X. Llabres i Xamena</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">Europacat 2017</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">Florence, Italy</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="2017-08-27T00:00:00+02:00">Sunday, 27 August, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-08-31T00:00:00+02:00">Thursday, 31 August, 2017</span></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/europacat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROPACAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:43:18 +0000 wim 4897 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/first-principle-study-active-sites-uio-66-fischer-esterification#comments Analyzing the stability and reactivity of carbenium ion intermediates in H-ZSM-5 catalyzed octene cracking https://molmod.ugent.be/c1_c3_publications/analyzing-stability-and-reactivity-carbenium-ion-intermediates-h-zsm-5-catalyzed <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/p-cnudde" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P. Cnudde</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/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <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/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">Europacat 2017</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">Florence, Italy</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="2017-08-27T00:00:00+02:00">Sunday, 27 August, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-08-31T00:00:00+02:00">Thursday, 31 August, 2017</span></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/europacat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROPACAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:41:31 +0000 wim 4896 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/analyzing-stability-and-reactivity-carbenium-ion-intermediates-h-zsm-5-catalyzed#comments Molecular Modeling in Methanol to Olefins reaction https://molmod.ugent.be/c1_c3_publications/molecular-modeling-methanol-olefins-reaction <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <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">Keynote</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">Europacat 2017</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">Florence, Italy</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="2017-08-27T00:00:00+02:00">Sunday, 27 August, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-08-31T00:00:00+02:00">Thursday, 31 August, 2017</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/ALL_EVT_315_EUROPACAT%20VANSPEYBROECK.pdf" type="application/pdf; length=178849">ALL_EVT_315_EUROPACAT VANSPEYBROECK.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/europacat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROPACAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:08:46 +0000 wim 4889 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/molecular-modeling-methanol-olefins-reaction#comments EUROPACAT 2017 https://molmod.ugent.be/travel/europacat-2017 <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Florence, Italy</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="2017-08-27T00:00:00+02:00">Sunday, 27 August, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-08-31T00:00:00+02:00">Thursday, 31 August, 2017</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"> V. Van Speybroeck, J. Hajek, P. Cnudde, C. Caratelli, S. Bailleul </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"> ERC DYNPOR H20ERC2015000301, IAP VII P7/05 B/12909/* </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"> EUROPACAT 2017 </span> </div> Mon, 22 May 2017 06:42:18 +0000 wim 4800 at https://molmod.ugent.be https://molmod.ugent.be/travel/europacat-2017#comments