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Krenzer, G.
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Krenzer, G.
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Room-temperature stacking disorder in layered covalent-organic frameworks from machine-learning force fields
by
Ganose, A.M
,
Huang, J.
,
Krenzer
,
G
.
,
Shin, S.-J
,
Tolborg, K.
,
Walsh, A.
Published 2023
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Related Subjects
Covalent organic frameworks
Crystals
Crystals structures
Density functional theory
Density-functional theory calculations
Dynamics simulation
Forcefields
Free energy
Local structure
Machine learning
Machine-learning
Molecular dynamics
Stacking disorders
Stackings
X- ray diffractions
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