Computational study of the reversible opening-closing of the COK-14 zeolite
ISBN/ISSN:
Talk
Conference / event / venue
ACS Fall 2014
San Francisco, USA
Sunday, 10 August, 2014 to Thursday, 14 August, 2014
V. Van Speybroeck
Tailoring Metal-organic frameworks for adsorption applications
ISBN/ISSN:
Talk
Conference / event / venue
E-MRS 2014 Spring Meeting
Lille, France
Monday, 26 May, 2014 to Friday, 30 May, 2014
Radiation induced damage in biomolecules. An ab initio molecular dynamics study on crystalline α-L-rhamnose
ISBN/ISSN:
Talk
Conference / event / venue
FemEx-Oslo conference
Oslo, Norway
Friday, 13 June, 2014 to Monday, 16 June, 2014
An extended Pareto approach to computational materials design: tungsten alloys for nuclear fusion reactors
ISBN/ISSN:
Talk
Conference / event / venue
E-MRS 2014 Spring Meeting
Lille, France
Monday, 26 May, 2014 to Friday, 30 May, 2014
Checking the engines: quantitative error bar assessment for DFT-based property predictions
ISBN/ISSN:
Talk
Conference / event / venue
E-MRS 2014 Spring Meeting
Lille, France
Monday, 26 May, 2014 to Friday, 30 May, 2014
PPV Polymerization via the Gilch Route: Effect of Diradical Character of Monomers and Dimers
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Poster
Conference / event / venue
Promoting Female excellence in Theoretical and Computational Chemistry II
Oslo, Norway
Friday, 13 June, 2014 to Monday, 16 June, 2014
DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)
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Poster
Conference / event / venue
Low-scaling and Unconventional Electronic Structure Techniques Conference
Telluride, CO, USA
Sunday, 1 June, 2014 to Thursday, 5 June, 2014
Towards simulations of complex chemical conversions in zeolites
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Invited talk
Conference / event / venue
Dutch Zeolite Association “On Hybrids and Zeolites”
Gent
Tuesday, 7 October, 2014
The influence of catalyst acid strength on reactions relevant for Methanol To Hydrocarbons (MTH) catalysis
ISBN/ISSN:
Talk
Conference / event / venue
16th Nordic Symposium on Catalysis (NSC2014)
Oslo, Norway
Sunday, 15 June, 2014 to Tuesday, 17 June, 2014
Active site engineering of Metal-Organic-Frameworks guided by molecular modeling
ISBN/ISSN:
Poster
Conference / event / venue
Long time dynamics from short time simulations
Lugano, Switzerland
Wednesday, 12 March, 2014 to Friday, 14 March, 2014
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