Center for Molecular Modeling - WATOC 2011 https://molmod.ugent.be/conferences/watoc-2011 en WATOC 2011 https://molmod.ugent.be/travel/watoc-2011 <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Santiago de Compostela, Spain</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="2011-07-17T00:00:00+02:00">Sunday, 17 July, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-07-22T00:00:00+02:00">Friday, 22 July, 2011</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"> S. Catak, A. Ghysels, J. Van der Mynsbrugge </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"> GOA06, FWO mandaat, IAP VI P6/27, GOA2010 B/10795/* </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"> WATOC 2011 </span> </div> Thu, 07 Feb 2013 14:51:14 +0000 wim 2031 at https://molmod.ugent.be https://molmod.ugent.be/travel/watoc-2011#comments Monte carlo simulations to understand "breathing" phenomenon of metal organic Frameworks https://molmod.ugent.be/c1_c3_publications/monte-carlo-simulations-understand-breathing-phenomenon-metal-organic-frameworks <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/ghysels" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Ghysels</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/b-smit" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Smit</a> </span> </div> <div class="field field-name-field-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Abstract PI 269</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">Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)</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">Santiago de Compostela, Spain</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="2011-07-17T00:00:00+02:00">Sunday, 17 July, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-07-22T00:00:00+02:00">Friday, 22 July, 2011</span></span></div> </div> </div> <div class="field field-name-field-thesis-attachement field-type-file field-label-above"> <h3><div class="field-label">Abstract&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/2011 WATOC AG 269.pdf" type="application/pdf; length=142261">2011 WATOC AG 269.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/watoc-2011" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">WATOC 2011</a> </span> </div> Mon, 21 Nov 2011 15:34:50 +0000 wim 908 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/monte-carlo-simulations-understand-breathing-phenomenon-metal-organic-frameworks#comments Modeling Ring-chain-ring Tautomerization of N-(o-aryl)-4-Hydroxy-2-oxazolidinone Derivatives https://molmod.ugent.be/c1_c3_publications/modeling-ring-chain-ring-tautomerization-n-o-aryl-4-hydroxy-2-oxazolidinone <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/y%C4%B1ld%C4%B1r%C4%B1m" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Yıldırım</a>, <a href="/publication-authors/konuklar" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Konuklar</a>, <a href="/publication-authors/s-catak" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Catak</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/i-do%C4%9Fan" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">I. Doğan</a>, <a href="/publication-authors/v-aviyente" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Aviyente</a> </span> </div> <div class="field field-name-field-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Abstract PII 141</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">Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)</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">Santiago de Compostela, Spain</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="2011-07-17T00:00:00+02:00">Sunday, 17 July, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-07-22T00:00:00+02:00">Friday, 22 July, 2011</span></span></div> </div> </div> <div class="field field-name-field-thesis-attachement field-type-file field-label-above"> <h3><div class="field-label">Abstract&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/WATOC2011-Asli Yildirim.pdf" type="application/pdf; length=59895">WATOC2011-Asli Yildirim.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/watoc-2011" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">WATOC 2011</a> </span> </div> Mon, 17 Oct 2011 12:32:51 +0000 wim 724 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/modeling-ring-chain-ring-tautomerization-n-o-aryl-4-hydroxy-2-oxazolidinone#comments Competitive Pathways For Peptide Deamidation https://molmod.ugent.be/c1_c3_publications/competitive-pathways-peptide-deamidation <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-catak" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Catak</a>, <a href="/publication-authors/b-de-sterck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. De Sterck</a>, <a href="/publication-authors/re-bulo" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">R.E. Bulo</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-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Abstract PIII104</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"> Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)</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">Santiago de Compostela, Spain</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="2011-07-17T00:00:00+02:00">Sunday, 17 July, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-07-22T00:00:00+02:00">Friday, 22 July, 2011</span></span></div> </div> </div> <div class="field field-name-field-thesis-attachement field-type-file field-label-above"> <h3><div class="field-label">Abstract&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/WATOC2011-Saron Catak.pdf" type="application/pdf; length=48212">WATOC2011-Saron Catak.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/watoc-2011" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">WATOC 2011</a> </span> </div> Mon, 17 Oct 2011 12:31:10 +0000 wim 723 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/competitive-pathways-peptide-deamidation#comments Investigation of Confinement Effects on Zeolite-Catalyzed Methylation Reactions https://molmod.ugent.be/c1_c3_publications/investigation-confinement-effects-zeolite-catalyzed-methylation-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-van-der-mynsbrugge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Van der Mynsbrugge</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/j-de-ridder" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. De Ridder</a>, <a href="/publication-authors/k-hemelsoet" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Hemelsoet</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-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Abstract OC 059</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">Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)</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">Santiago de Compostela, Spain</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="2011-07-17T00:00:00+02:00">Sunday, 17 July, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-07-22T00:00:00+02:00">Friday, 22 July, 2011</span></span></div> </div> </div> <div class="field field-name-field-thesis-attachement field-type-file field-label-above"> <h3><div class="field-label">Abstract&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/2011 WATOC JVDM OC059.pdf" type="application/pdf; length=30924">2011 WATOC JVDM OC059.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/watoc-2011" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">WATOC 2011</a> </span> </div> Fri, 26 Aug 2011 12:57:44 +0000 wim 320 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/investigation-confinement-effects-zeolite-catalyzed-methylation-reactions#comments