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- Journal Article
- A1
- open access
A comparison of barostats for the mechanical characterization of metal-organic frameworks
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- Journal Article
- A1
- open access
Shape-selective diffusion of olefins in 8-ring solid acid microporous zeolites
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- Journal Article
- A1
- open access
Mechanical properties from periodic plane wave quantum mechanical codes: the challenge of the flexible nanoporous MIL-47(V) framework
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- Conference Paper
- P1
- open access
Normal mode analysis of macromolecular systems with the mobile block Hessian method
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Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
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Tailoring metal-organic frameworks for adsorption applications
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Critical analysis of the accuracy of models predicting or extracting liquid structure information
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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
Oxygen diffusion water, alkanes, and lipid bilayers