Center for Molecular Modeling - J. K. Nørskov https://molmod.ugent.be/publication-authors/j-k-n%C3%B8rskov en Effect of anharmonicity on adsorption and reaction thermodynamics on solid surfaces https://molmod.ugent.be/c1_c3_publications/effect-anharmonicity-adsorption-and-reaction-thermodynamics-solid-surfaces <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-t-lundgaard" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. T. Lundgaard</a>, <a href="/publication-authors/j-k-n%C3%B8rskov" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. K. Nørskov</a>, <a href="/publication-authors/t-bligaard" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Bligaard</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">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">SUNCAT Summer Institute 2017: Fundamentals and Applications of Heterogeneous Catalysis</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">Stanford University, CA, USA</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="2017-08-14T00:00:00+02:00">Monday, 14 August, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-08-18T00:00:00+02:00">Friday, 18 August, 2017</span></span></div> </div> </div> Tue, 15 Aug 2017 16:01:32 +0000 kristof 4860 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/effect-anharmonicity-adsorption-and-reaction-thermodynamics-solid-surfaces#comments Towards an anharmonic description of entropy https://molmod.ugent.be/c1_c3_publications/towards-anharmonic-description-entropy <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-t-lundgaard" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. T. Lundgaard</a>, <a href="/publication-authors/j-k-n%C3%B8rskov" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. K. Nørskov</a>, <a href="/publication-authors/t-bligaard" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Bligaard</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">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">SUNCAT Scientific Advisory Board 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">Stanford, USA</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="2017-05-18T00:00:00+02:00">Thursday, 18 May, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-05-19T00:00:00+02:00">Friday, 19 May, 2017</span></span></div> </div> </div> Tue, 16 May 2017 20:59:41 +0000 kristof 4793 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/towards-anharmonic-description-entropy#comments Entropy sampling for zeolite-catalyzed reactions at operating conditions https://molmod.ugent.be/c1_c3_publications/entropy-sampling-zeolite-catalyzed-reactions-operating-conditions <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/t-bligaard" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Bligaard</a>, <a href="/publication-authors/j-k-n%C3%B8rskov" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. K. Nørskov</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">253rd American Chemical Society 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">San Francisco, CA, USA</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="2017-04-02T00:00:00+02:00">Sunday, 2 April, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-04-07T00:00:00+02:00">Friday, 7 April, 2017</span></span></div> </div> </div> Wed, 01 Mar 2017 22:51:57 +0000 kristof 4653 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/entropy-sampling-zeolite-catalyzed-reactions-operating-conditions#comments