Center for Molecular Modeling - Annual Meeting for Interuniversity Attraction Poles (IUAP) 2011 https://molmod.ugent.be/conferences/annual-meeting-interuniversity-attraction-poles-iuap-2011 en Belgium Science Policy (Belspo)–Annual Meeting for Interuniversity Attraction Poles (IUAP) https://molmod.ugent.be/travel/belgium-science-policy-belspo%E2%80%93annual-meeting-interuniversity-attraction-poles-iuap <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Leuven, Belgium</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="2011-11-21T00:00:00+01:00">Monday, 21 November, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-11-22T00:00:00+01:00">Tuesday, 22 November, 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, M. Waroquier, V. Van Speybroeck, M. Van Houteghem, M. Vandichel </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"> IAP VI P6/27 </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"> Annual Meeting for Interuniversity Attraction Poles (IUAP) 2011 </span> </div> Thu, 07 Feb 2013 14:41:18 +0000 wim 2027 at https://molmod.ugent.be https://molmod.ugent.be/travel/belgium-science-policy-belspo%E2%80%93annual-meeting-interuniversity-attraction-poles-iuap#comments Introducing BSSE as an extra energy term in molecular dynamics https://molmod.ugent.be/c1_c3_publications/introducing-bsse-extra-energy-term-molecular-dynamics <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/m-van-houteghem" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Van Houteghem</a>, <a href="/publication-authors/ghysels" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Ghysels</a>, <a href="/publication-authors/t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Verstraelen</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/c-kirschhock" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C. Kirschhock</a>, <a href="/publication-authors/ja-martens" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J.A. Martens</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">WP3/8</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">IAP Annual Meeting</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">Leuven, Belgium</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="2011-11-21T00:00:00+01:00">Monday, 21 November, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-11-22T00:00:00+01:00">Tuesday, 22 November, 2011</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/2011%20IAP%20P3_8.pdf" type="application/pdf; length=22814">2011 IAP P3_8.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/annual-meeting-interuniversity-attraction-poles-iuap-2011" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Annual Meeting for Interuniversity Attraction Poles (IUAP) 2011</a> </span> </div> Tue, 20 Mar 2012 08:38:20 +0000 wim 1161 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/introducing-bsse-extra-energy-term-molecular-dynamics#comments Electronic effects of ligand substitution on Lewis acid catalysis with metal-organic frameworks https://molmod.ugent.be/c1_c3_publications/electronic-effects-ligand-substitution-lewis-acid-catalysis-metal-organic <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/m-vandichel" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Vandichel</a>, <a href="/publication-authors/f-vermoortele" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F. Vermoortele</a>, <a href="/publication-authors/b-van-de-voorde" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Van de Voorde</a>, <a href="/publication-authors/r-ameloot" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">R. Ameloot</a>, <a href="/publication-authors/d-de-vos" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. De Vos</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-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">IAP Annual Meeting</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">Leuven, Belgium</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="2011-11-21T00:00:00+01:00">Monday, 21 November, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-11-22T00:00:00+01:00">Tuesday, 22 November, 2011</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/IAP_2011_Vandichel_UiO_NO2_UiO.pdf" type="application/pdf; length=139267">IAP_2011_Vandichel_UiO_NO2_UiO.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/annual-meeting-interuniversity-attraction-poles-iuap-2011" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Annual Meeting for Interuniversity Attraction Poles (IUAP) 2011</a> </span> </div> Tue, 20 Mar 2012 08:22:21 +0000 wim 1160 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/electronic-effects-ligand-substitution-lewis-acid-catalysis-metal-organic#comments Selectivity prediction for the citronellal cyclization on various catalysts https://molmod.ugent.be/c1_c3_publications/selectivity-prediction-citronellal-cyclization-various-catalysts <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/m-vandichel" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Vandichel</a>, <a href="/publication-authors/s-cottenie" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Cottenie</a>, <a href="/publication-authors/f-vermoortele" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F. Vermoortele</a>, <a href="/publication-authors/d-de-vos" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. De Vos</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-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">IAP Annual Meeting</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">Leuven, Belgium</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="2011-11-21T00:00:00+01:00">Monday, 21 November, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-11-22T00:00:00+01:00">Tuesday, 22 November, 2011</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/IAP_2011_Vandichel_Cottenie_citronellal_cyclization.pdf" type="application/pdf; length=134781">IAP_2011_Vandichel_Cottenie_citronellal_cyclization.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/annual-meeting-interuniversity-attraction-poles-iuap-2011" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Annual Meeting for Interuniversity Attraction Poles (IUAP) 2011</a> </span> </div> Tue, 20 Mar 2012 08:20:43 +0000 wim 1159 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/selectivity-prediction-citronellal-cyclization-various-catalysts#comments DFT insight into the polymerization mechanism of conjugated electroluminescent polymer PPV https://molmod.ugent.be/c1_c3_publications/dft-insight-polymerization-mechanism-conjugated-electroluminescent-polymer-ppv <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/l-hermosilla" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Hermosilla</a>, <a href="/publication-authors/b-champagne" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Champagne</a>, <a href="/publication-authors/d-vanderzande" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. Vanderzande</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">WP2/5</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">Belgium Science Policy (Belspo)–Annual Meeting for Interuniversity Attraction Poles (IUAP)</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">Leuven, Belgium</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="2011-11-21T00:00:00+01:00">Monday, 21 November, 2011</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2011-11-22T00:00:00+01:00">Tuesday, 22 November, 2011</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/2011%20IAP%20WP2_5.pdf" type="application/pdf; length=46729">2011 IAP WP2_5.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/annual-meeting-interuniversity-attraction-poles-iuap-2011" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Annual Meeting for Interuniversity Attraction Poles (IUAP) 2011</a> </span> </div> Wed, 18 Jan 2012 17:05:17 +0000 catak 996 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/dft-insight-polymerization-mechanism-conjugated-electroluminescent-polymer-ppv#comments