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- Journal Article
- A1
- open access
Semi-analytical mean-field model for predicting breathing in metal–organic frameworks
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- Journal Article
- A1
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A comparison of barostats for the mechanical characterization of metal-organic frameworks
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On the thermodynamics of framework breathing: a free energy model for gas adsorption in MIL-53
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- Conference Paper
- C3
- open access
Empty host breathing profiles of MIL-53 type frameworks with various cations at the nodal points
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- Journal Article
- A1
- open access
Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids : application to methanol