Metal-organic frameworks with wine-rack motif: what determines their flexibility and elastic properties?

We present here a framework for the analysis of the full tensors of second-order elastic constants of metal-organic frameworks, which can be obtained by ab initio calculations. We describe the various mechanical properties one can derive from such tensors: directional Young's modulus, shear mod...

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Veröffentlicht in:	The Journal of chemical physics 2013-05, Vol.138 (17), p.174703-174703
Hauptverfasser:	Ortiz, Aurélie U, Boutin, A, Fuchs, Alain H, Coudert, François-Xavier
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences Compressibility Eigenvalues Elastic constants Flexibility Material chemistry Mathematical analysis Mechanical properties Metal-organic frameworks Modulus of elasticity or physical chemistry Tensors Theoretical and
Online-Zugang:	Volltext
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