Network and graph set analysis
Book chapter, 2012

In this chapter, it is first shown how a number of steps in the scientific process in this field of chemistry can be improved by naming and understanding the topology of three-dimensional networks and can be the coordination polymers, metal–organic frameworks, or hydrogen bonded systems. Specifically, the discussion is centered on the use of network analysis and graph set analysis to (i) understand the products we get, (ii) compare these materials to what others have made, (iii) communicate our results to colleagues, and (iv) truly make something new by design. The topology symbols by O'Keeffe, Wells, and others are introduced, and the reader is given a step-by-step guide on how to obtain the topology of a 3D net. Finally, graph set analysis is introduced, and its utility in supramolecular chemistry and network analysis discussed.

hydrogen bonding

supramolecular synthons


metal–organic frameworks

coordination polymers

graph set symbols

network analysis

3D nets


Lars Öhrström

Chalmers, Chemical and Biological Engineering, Physical Chemistry

Supramolecular Materials Chemistry, (Supramolecular Chemistry: From Molecules to Nanomaterials, Philip A. Gale and Jonathan W. Steed (eds.), vol.6)

3057- 3072

Subject Categories

Inorganic Chemistry

Physical Chemistry

Chemical Sciences

Organic Chemistry

Driving Forces

Sustainable development

Areas of Advance

Nanoscience and Nanotechnology (2010-2017)

Materials Science


Basic sciences





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