Center for Molecular Modeling - ICTAC-14 https://molmod.ugent.be/conferences/ictac-14-0 en ICTAC-14 https://molmod.ugent.be/travel/ictac-14 <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Vlissingen, 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="2012-06-26T00:00:00+02:00">Tuesday, 26 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-30T00:00:00+02:00">Saturday, 30 June, 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"> M. Waroquier, V. Van Speybroeck, K. Hemelsoet, T. Verstraelen, L. Vanduyfhuys, J. Van der Mynsbrugge, M. Vandichel, S.L. Moors, T. Bogaerts, L. Joos, W. Dewitte </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 KINPOR B/10761/* </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"> ICTAC-14 </span> </div> Thu, 17 Jan 2013 11:09:57 +0000 wim 1887 at https://molmod.ugent.be https://molmod.ugent.be/travel/ictac-14#comments Thermodynamics of "breathing" of metal-organic frameworks: free energy model for adsorption induced transitions https://molmod.ugent.be/c1_c3_publications/thermodynamics-breathing-metal-organic-frameworks-free-energy-model-adsorption <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> </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">p. 169-170</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">ICTAC-14</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">Vlissingen, 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="2012-06-26T00:00:00+02:00">Tuesday, 26 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-30T00:00:00+02:00">Saturday, 30 June, 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_ICTAC14_AGhysels.pdf" type="application/pdf; length=128789">2012_ICTAC14_AGhysels.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/ictac-14-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-14</a> </span> </div> Mon, 02 Jul 2012 14:01:52 +0000 wim 1349 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/thermodynamics-breathing-metal-organic-frameworks-free-energy-model-adsorption#comments Selectivity prediction for the citronellal cyclization on Cu3BTC2: a comparison between extended cluster and periodic calculations https://molmod.ugent.be/c1_c3_publications/selectivity-prediction-citronellal-cyclization-cu3btc2-comparison-between <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/s-cottenie" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Cottenie</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-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">p. 93-94</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">ICTAC-14</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">Vlissingen, 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="2012-06-26T00:00:00+02:00">Tuesday, 26 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-30T00:00:00+02:00">Saturday, 30 June, 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_ICTAC14_MVandichel.pdf" type="application/pdf; length=318920">2012_ICTAC14_MVandichel.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/ictac-14-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-14</a> </span> </div> Mon, 02 Jul 2012 14:00:04 +0000 wim 1348 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/selectivity-prediction-citronellal-cyclization-cu3btc2-comparison-between#comments Trans effect: withdrawing electrons from the reactive region https://molmod.ugent.be/c1_c3_publications/trans-effect-withdrawing-electrons-reactive-region-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/b-pinter" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Pinter</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/p-geerlings" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P. Geerlings</a>, <a href="/publication-authors/f-de-proft" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F. De Proft</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">p. 91</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">ICTAC-14</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">Vlissingen, 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="2012-06-26T00:00:00+02:00">Tuesday, 26 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-30T00:00:00+02:00">Saturday, 30 June, 2012</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/ictac-14-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-14</a> </span> </div> Mon, 02 Jul 2012 13:58:30 +0000 wim 1347 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/trans-effect-withdrawing-electrons-reactive-region-0#comments Mechanistic investigation of the enantioselective titaniumtartrate catalyst https://molmod.ugent.be/c1_c3_publications/mechanistic-investigation-enantioselective-titaniumtartrate-catalyst <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/t-bogaerts" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Bogaerts</a>, <a href="/publication-authors/m-vandichel" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Vandichel</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/p-van-der-voort" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P. Van der Voort</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">p. 75</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">ICTAC-14</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">Vlissingen, 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="2012-06-26T00:00:00+02:00">Tuesday, 26 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-30T00:00:00+02:00">Saturday, 30 June, 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_ICTAC14_TBogaerts.pdf" type="application/pdf; length=148284">2012_ICTAC14_TBogaerts.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/ictac-14-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-14</a> </span> </div> Mon, 02 Jul 2012 13:56:54 +0000 wim 1346 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/mechanistic-investigation-enantioselective-titaniumtartrate-catalyst#comments Ab initio parametrized force field for the metal-organic framework MIL-53(Al) to study its framework flexibility https://molmod.ugent.be/c1_c3_publications/ab-initio-parametrized-force-field-metal-organic-framework-mil-53al-study-its <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/l-vanduyfhuys" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Vanduyfhuys</a>, <a href="/publication-authors/t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Verstraelen</a>, <a href="/publication-authors/m-vandichel" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Vandichel</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">p. 95-96</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">ICTAC-14</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">Vlissingen, 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="2012-06-26T00:00:00+02:00">Tuesday, 26 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-30T00:00:00+02:00">Saturday, 30 June, 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_ICTAC_LVanduyfhuys.pdf" type="application/pdf; length=267546">2012_ICTAC_LVanduyfhuys.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/ictac-14-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-14</a> </span> </div> Mon, 12 Mar 2012 15:33:37 +0000 louis 1145 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/ab-initio-parametrized-force-field-metal-organic-framework-mil-53al-study-its#comments Kinetic study on the effects of zeolite topology on methylation reactions in the methanol-to-olefins process https://molmod.ugent.be/c1_c3_publications/kinetic-study-effects-zeolite-topology-methylation-reactions-methanol-olefins <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/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">p. 83-84</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">ICTAC-14</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">Vlissingen, 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="2012-06-26T00:00:00+02:00">Tuesday, 26 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-30T00:00:00+02:00">Saturday, 30 June, 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_ICTAC14_JvdMyns.pdf" type="application/pdf; length=150322">2012_ICTAC14_JvdMyns.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/ictac-14-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-14</a> </span> </div> Wed, 29 Feb 2012 09:00:09 +0000 jeroen 1120 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/kinetic-study-effects-zeolite-topology-methylation-reactions-methanol-olefins#comments Valence Force Fields for Microporous Materials https://molmod.ugent.be/c1_c3_publications/valence-force-fields-microporous-materials <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Verstraelen</a>, <a href="/publication-authors/l-vanduyfhuys" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Vanduyfhuys</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> </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">p. 114-115</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">ICTAC-14</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">Vlissingen, 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="2012-06-26T00:00:00+02:00">Tuesday, 26 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-30T00:00:00+02:00">Saturday, 30 June, 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_ICTAC14_TVerstraelen.pdf" type="application/pdf; length=115689">2012_ICTAC14_TVerstraelen.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/ictac-14-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-14</a> </span> </div> Thu, 19 Jan 2012 10:52:46 +0000 toon 1006 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/valence-force-fields-microporous-materials#comments Identification of Carbonaceous Compounds in H-SAPO-34: a Combined TDDFT and In-situ Spectroscopy Study https://molmod.ugent.be/c1_c3_publications/identification-carbonaceous-compounds-h-sapo-34-combined-tddft-and-situ <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-hemelsoet" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Hemelsoet</a>, <a href="/publication-authors/q-qian" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Q. Qian</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/bm-weckhuysen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B.M. Weckhuysen</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">p. 44-45</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">ICTAC-14</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">Vlissingen, 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="2012-06-26T00:00:00+02:00">Tuesday, 26 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-30T00:00:00+02:00">Saturday, 30 June, 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_ICTAC14_KHemelsoet.pdf" type="application/pdf; length=186128">2012_ICTAC14_KHemelsoet.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/ictac-14-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">ICTAC-14</a> </span> </div> Thu, 19 Jan 2012 09:27:38 +0000 hemel 1003 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/identification-carbonaceous-compounds-h-sapo-34-combined-tddft-and-situ#comments