Center for Molecular Modeling - NCCC XVII https://molmod.ugent.be/conferences/nccc-xvii-0 en Ab initio molecular dynamics study on the role of water in the side-chain mechanism during methanol conversion in H-SAPO-34 https://molmod.ugent.be/c1_c3_publications/ab-initio-molecular-dynamics-study-role-water-side-chain-mechanism-during <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/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">XVIIth Netherlands&#039; Catalysis and Chemistry Conference (NCCC XVII)</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">Noordwijkerhout, The Netherlands</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="2016-03-07T00:00:00+01:00">Monday, 7 March, 2016</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2016-03-09T00:00:00+01:00">Wednesday, 9 March, 2016</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/Abstract_NCCCXVII_Simon_Bailleul3.pdf" type="application/pdf; length=10452">Abstract_NCCCXVII_Simon_Bailleul3.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/nccc-xvii-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">NCCC XVII</a> </span> </div> Wed, 04 May 2016 15:27:38 +0000 simon 4245 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/ab-initio-molecular-dynamics-study-role-water-side-chain-mechanism-during#comments Catalytic role of UiO-66 and UiO-66-NH2 in Fischer esterification: a mechanistic study https://molmod.ugent.be/c1_c3_publications/catalytic-role-uio-66-and-uio-66-nh2-fischer-esterification-mechanistic-study <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/g-cirujano" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">G. Cirujano</a>, <a href="/publication-authors/corma" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Corma</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">Poster</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">NCCC XVII</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">Noordwijkerhout, The Netherlands</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="2016-03-07T00:00:00+01:00">Monday, 7 March, 2016</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2016-03-09T00:00:00+01:00">Wednesday, 9 March, 2016</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/abstract_submission_NCCC_chiara.pdf" type="application/pdf; length=119958">abstract_submission_NCCC_chiara.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/nccc-xvii-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">NCCC XVII</a> </span> </div> Fri, 22 Jan 2016 15:39:01 +0000 wim 4075 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/catalytic-role-uio-66-and-uio-66-nh2-fischer-esterification-mechanistic-study#comments NCCC XVII https://molmod.ugent.be/travel/nccc-xvii <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Noordwijkerhout, The Netherlands</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="2016-03-07T00:00:00+01:00">Monday, 7 March, 2016</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2016-03-09T00:00:00+01:00">Wednesday, 9 March, 2016</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, S. Bailleul, J. Hajek, Y. Pauwels, C. Caratelli </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, DEFNET (641887) H20ITN2015000201, FWO MOFs (3G048612) B/12561/* </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"> NCCC XVII </span> </div> Mon, 18 Jan 2016 09:27:56 +0000 wim 4065 at https://molmod.ugent.be https://molmod.ugent.be/travel/nccc-xvii#comments Advanced molecular simulations of elementary steps in zeolite catalysis https://molmod.ugent.be/c1_c3_publications/advanced-molecular-simulations-elementary-steps-zeolite-catalysis <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/s-bailleul" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Bailleul</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"> XVIIth Netherlands&#039; Catalysis and Chemistry Conference (NCCC XVII)</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">Noordwijkerhout, The Netherlands</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="2016-03-07T00:00:00+01:00">Monday, 7 March, 2016</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2016-03-09T00:00:00+01:00">Wednesday, 9 March, 2016</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/KristofDeWispelaere_NCCC_UGent_CMM.pdf" type="application/pdf; length=172687">KristofDeWispelaere_NCCC_UGent_CMM.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/nccc-xvii-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">NCCC XVII</a> </span> </div> Wed, 09 Dec 2015 16:38:06 +0000 kristof 4028 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/advanced-molecular-simulations-elementary-steps-zeolite-catalysis#comments