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20192022
most citedEvaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene

39 citations · 92 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2022

Understanding the origin of the particularly small and anisotropic thermal expansion of MOF-74

Tomas Kamencek, Benedikt Schrode, Roland Resel +2

Metal-organic frameworks often display large positive or negative thermal expansion coefficients. MOF-74, a material envisioned for many applications does not display such a behavi…