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Network and graph set analysis

Lars Öhrström (Institutionen för kemi- och bioteknik, Fysikalisk kemi)
Supramolecular Materials Chemistry, (Supramolecular Chemistry: From Molecules to Nanomaterials, Philip A. Gale and Jonathan W. Steed (eds.), vol.6) p. 3057- 3072. (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.

Nyckelord: topology, network analysis, 3D nets, coordination polymers, metal–organic frameworks, hydrogen bonding, graph set symbols, supramolecular synthons

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Denna post skapades 2012-03-23. Senast ändrad 2014-11-10.
CPL Pubid: 156143


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Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Fysikalisk kemi (2005-2014)


Nanovetenskap och nanoteknik
Hållbar utveckling
Fysikalisk kemi
Oorganisk kemi
Organisk kemi

Chalmers infrastruktur