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Page 1
Exploring the Impact of the Linker Length on Heat Transport in Metal-Organic Frameworks.
Nanomaterials (Basel). 2022 Jun 22;12(13):2142. doi: 10.3390/nano12132142.
Nanomaterials (Basel). 2022.
PMID: 35807978
Free PMC article.
Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene.
Kamencek T, Wieser S, Kojima H, Bedoya-Martínez N, Dürholt JP, Schmid R, Zojer E.
Kamencek T, et al. Among authors: wieser s.
J Chem Theory Comput. 2020 Apr 14;16(4):2716-2735. doi: 10.1021/acs.jctc.0c00119. Epub 2020 Mar 24.
J Chem Theory Comput. 2020.
PMID: 32155063
Free PMC article.
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Predicting Spin-Dependent Phonon Band Structures of HKUST-1 Using Density Functional Theory and Machine-Learned Interatomic Potentials.
Strasser N, Wieser S, Zojer E.
Strasser N, et al. Among authors: wieser s.
Int J Mol Sci. 2024 Mar 5;25(5):3023. doi: 10.3390/ijms25053023.
Int J Mol Sci. 2024.
PMID: 38474269
Free PMC article.
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