Nuclear quantum effects in metal-organic frameworks
ISBN/ISSN:
Poster
Conference / event / venue
Path Integral Quantum Mechanics: From the Basics to the Latest Developments
Lausanne, Switzerland
Wednesday, 27 June, 2018
A. Lamaire
Nuclear quantum effects in metal-organic frameworks
ISBN/ISSN:
Poster
Conference / event / venue
Solvay New Horizons Lectures in Chemistry
Zwijnaarde, Belgium
Friday, 1 June, 2018
Towards a molecular level understanding of chemical and physical phenomena in metal-organic frameworks
ISBN/ISSN:
Talk
Conference / event / venue
Congrès français des MOFs
Paris, France
Wednesday, 16 May, 2018 to Thursday, 17 May, 2018
Towards a reliable quantum mechanical description of excited states in open-shell transition metal complexes
Structural characterization of solvents confined in zeolites
Accurate estimation of the temperature-dependent entropy of flexible Metal-Organic Frameworks
On the importance of NQEs in modelling the structural properties and thermal expansion of MOF-5
ISBN/ISSN:
Poster
Conference / event / venue
MolSim 2018
Amsterdam, The Netherlands
Thursday, 11 January, 2018
On the importance of nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5
ISBN/ISSN:
Poster
Conference / event / venue
EUROMOF 2017
Delft, The Netherlands
Monday, 30 October, 2017
Aran Lamaire
Introducing nuclear quantum effects in metal-organic frameworks via a colored-noise thermostat
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