Template-Based Geometric Simulation of Flexible Frameworks.

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ID: 814
2012
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Abstract
Specialised modelling and simulation methods implementing simplified physical models are valuable generators of insight. Template-based geometric simulation is a specialised method for modelling flexible framework structures made up of rigid units. We review the background, development and implementation of the method, and its applications to the study of framework materials such as zeolites and perovskites. The "flexibility window" property of zeolite frameworks is a particularly significant discovery made using geometric simulation. Software implementing geometric simulation of framework materials, "GASP", is freely available to researchers.
Reference Key
wells2012template-based Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Wells, Stephen A;Sartbaeva, Asel;
Journal Materials (Basel, Switzerland)
Year 2012
DOI
10.3390/ma5030415
URL
Keywords Keywords not found

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