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Materials Chemistry

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Theoretical and Computational Chemistry

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nanocrystallites

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3 results in Keywords: nanocrystallites

Theoretical and Computational Chemistry

Influence of Flexible Side-Chains on the Breathing Phase Transition of Pillared Layer MOFs: A Force Field Investigation

Julian Keupp, Johannes P. Dürholt, Rochus Schmid

Version 1 posted 27 January 2020

1,268

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Materials Science

Molecular Dynamics Simulations of the “Breathing” Phase Transformation of MOF Nanocrystallites

Julian Keupp, Rochus Schmid

Version 1 posted 17 June 2019

1,468

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1

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Materials Chemistry

Molecular Dynamics Simulations of the Breathing Phase Transition of MOF Nanocrystallites II: Explicitly Modeling the Pressure Medium

Larissa Schaper, Julian Keupp, Rochus Schmid

Version 1 posted 10 August 2021

195

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