Center for Molecular Modeling - WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems https://molmod.ugent.be/conferences/watoc-2014-satellite-meeting-large-condensed-and-biological-systems en Substituent effects on absorption spectra of pH indicators: An experimental and computational study of sulfonphthaleine dyes https://molmod.ugent.be/c1_c3_publications/substituent-effects-absorption-spectra-ph-indicators-experimental-and-1 <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-de-meyer" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. De Meyer</a>, <a href="/publication-authors/k-de-clerck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. De Clerck</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">WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems</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">Concepción, Chili</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="2014-10-13T00:00:00+02:00">Monday, 13 October, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-10-14T00:00:00+02:00">Tuesday, 14 October, 2014</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/2014_TDM_WATOC.pdf" type="application/pdf; length=414724">2014_TDM_WATOC.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-2014-satellite-meeting-large-condensed-and-biological-systems" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems</a> </span> </div> Wed, 15 Oct 2014 06:49:42 +0000 wim 3320 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/substituent-effects-absorption-spectra-ph-indicators-experimental-and-1#comments Computational Study of the Reversible Opening and Closing of the COK-14 zeolite https://molmod.ugent.be/c1_c3_publications/computational-study-reversible-opening-and-closing-cok-14-zeolite-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/l-joos" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Joos</a>, <a href="/publication-authors/e-verheyen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">E. Verheyen</a>, <a href="/publication-authors/c-martineau" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C. Martineau</a>, <a href="/publication-authors/cj-dawson" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C.J. Dawson</a>, <a href="/publication-authors/c-weidenthaler" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C. Weidenthaler</a>, <a href="/publication-authors/w-schmidt" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">W. Schmidt</a>, <a href="/publication-authors/r-yuan" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">R. Yuan</a>, <a href="/publication-authors/e-breynaerts" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">E. Breynaerts</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/f-taulelle" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F. Taulelle</a>, <a href="/publication-authors/mmj-treacy" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M.M.J. Treacy</a>, <a href="/publication-authors/ja-martens" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J.A. Martens</a>, <a href="/publication-authors/c-kirschhock" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C. Kirschhock</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">WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems</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">Concepción, Chili</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="2014-10-13T00:00:00+02:00">Monday, 13 October, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-10-14T00:00:00+02:00">Tuesday, 14 October, 2014</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/2014_watoc_LJ4.pdf" type="application/pdf; length=620112">2014_watoc_LJ4.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-2014-satellite-meeting-large-condensed-and-biological-systems" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems</a> </span> </div> Wed, 15 Oct 2014 06:48:18 +0000 wim 3319 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/computational-study-reversible-opening-and-closing-cok-14-zeolite-0#comments Molecular dynamics study of shape-selective diffusion in 8-ring acidic zeolites https://molmod.ugent.be/c1_c3_publications/molecular-dynamics-study-shape-selective-diffusion-8-ring-acidic-zeolites-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/ghysels" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Ghysels</a>, <a href="/publication-authors/sl-moors" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S.L. Moors</a>, <a href="/publication-authors/k-hemelsoet" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Hemelsoet</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/g-sastre" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">G. Sastre</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">WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems</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">Concepción, Chili</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="2014-10-13T00:00:00+02:00">Monday, 13 October, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-10-14T00:00:00+02:00">Tuesday, 14 October, 2014</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/watoc-2014-satellite-meeting-large-condensed-and-biological-systems" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems</a> </span> </div> Wed, 15 Oct 2014 06:40:41 +0000 wim 3317 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/molecular-dynamics-study-shape-selective-diffusion-8-ring-acidic-zeolites-0#comments WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems https://molmod.ugent.be/travel/watoc-2014-satellite-meeting-large-condensed-and-biological-systems <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Concepción, Chili</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="2014-10-13T00:00:00+02:00">Monday, 13 October, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-10-14T00:00:00+02:00">Tuesday, 14 October, 2014</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"> T. Verstraelen, L. Joos, T. De Meyer, A. Ghysels </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 mandaat, BOF 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"> WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems </span> </div> Mon, 13 Oct 2014 09:22:50 +0000 wim 3308 at https://molmod.ugent.be https://molmod.ugent.be/travel/watoc-2014-satellite-meeting-large-condensed-and-biological-systems#comments An efficient protocol to derive reliable additive nonbonding force fields https://molmod.ugent.be/c1_c3_publications/efficient-protocol-derive-reliable-additive-nonbonding-force-fields-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/t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Verstraelen</a>, <a href="/publication-authors/s-vandenbrande" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Vandenbrande</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> </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">WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems</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">Concepción, Chili</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="2014-10-13T00:00:00+02:00">Monday, 13 October, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-10-14T00:00:00+02:00">Tuesday, 14 October, 2014</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/2014_WATOC_nonbonding_0.pdf" type="application/pdf; length=343361">2014_WATOC_nonbonding.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-2014-satellite-meeting-large-condensed-and-biological-systems" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems</a> </span> </div> Mon, 13 Oct 2014 09:21:48 +0000 wim 3307 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/efficient-protocol-derive-reliable-additive-nonbonding-force-fields-0#comments