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Filtering by: Creator Maier, Claudia Contributor Campbell, Matthew

A Graph Grammar Representation of Metal-Organic Frameworks for Computational Synthesis and Exploration

Creator:

Geringer, Mark K.

Abstract:

In this work, metal-organic frameworks (MOFs) are computationally represented, generated, and evaluated. The organic linker molecules are represented as graphs and use graph grammars where the atoms are represented by nodes and the bonds are represented by arcs. The grammar rules that dictate the graph generation process work on the...

Resource Type:

Masters Thesis