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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-sci2019★ 27 cited

Understanding Phonon Properties in Isoreticular Metal-Organic Frameworks from First Principles

Tomas Kamencek, Natalia Bedoya-Martínez, Egbert Zojer

Metal-organic frameworks (MOFs) are crystalline materials consisting of metal centers and organic linkers forming open and porous structures. They have been extensively studied due…