Center for Molecular Modeling - TACC-2012 https://molmod.ugent.be/conferences/tacc-2012-0 en TACC-2012 https://molmod.ugent.be/travel/tacc-2012 <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">University of Pavia, 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="2012-09-02T00:00:00+02:00">Sunday, 2 September, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-09-07T00:00:00+02:00">Friday, 7 September, 2012</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, H. Goossens </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 UGent/VUB (3G011909) B/09984/*, FWO mandaat </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"> TACC-2012 </span> </div> Thu, 17 Jan 2013 11:03:56 +0000 wim 1886 at https://molmod.ugent.be https://molmod.ugent.be/travel/tacc-2012#comments DFT calculations on Aziridines within the supermolecule approach https://molmod.ugent.be/c1_c3_publications/dft-calculations-aziridines-within-supermolecule-approach <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/h-goossens" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">H. Goossens</a>, <a href="/publication-authors/s-catak" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Catak</a>, <a href="/publication-authors/s-stankovic" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Stankovic</a>, <a href="/publication-authors/m-dhooghe" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. D&#039;Hooghe</a>, <a href="/publication-authors/n-de-kimpe" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">N. De Kimpe</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">http://www.tacc2012.org/poster/Goossens.pdf</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">Theory and Applications of Comoutational Chemistry (TACC-2012)</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">Pavia, 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="2012-09-02T00:00:00+02:00">Sunday, 2 September, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-09-07T00:00:00+02:00">Friday, 7 September, 2012</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/2012%20TACC%20Goossens.pdf" type="application/pdf; length=198438">2012 TACC Goossens.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/tacc-2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">TACC-2012</a> </span> </div> Fri, 24 Aug 2012 08:22:54 +0000 wim 1418 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/dft-calculations-aziridines-within-supermolecule-approach#comments Computation of chemical kinetics: Olefin producing reaction routes during Methanol conversion as a case study https://molmod.ugent.be/c1_c3_publications/computation-chemical-kinetics-olefin-producing-reaction-routes-during-methanol <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/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">http://www.tacc2012.org/poster/De_Wispeleare.pdf</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">Theory and Applications of Computational Chemistry (TACC-2012)</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">Pavia, 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="2012-09-02T00:00:00+02:00">Sunday, 2 September, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-09-07T00:00:00+02:00">Friday, 7 September, 2012</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/2012%20TACC%20De_Wispeleare.pdf" type="application/pdf; length=46465">2012 TACC De_Wispeleare.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/tacc-2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">TACC-2012</a> </span> </div> Fri, 24 Aug 2012 08:20:36 +0000 wim 1417 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/computation-chemical-kinetics-olefin-producing-reaction-routes-during-methanol#comments