Network and graph set analysis

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• 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.

Ämnesord

NATURVETENSKAP  -- Kemi -- Oorganisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)

NATURVETENSKAP  -- Kemi -- Fysikalisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Physical Chemistry (hsv//eng)

NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

NATURVETENSKAP  -- Kemi -- Organisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Organic Chemistry (hsv//eng)

Nyckelord

hydrogen bonding

supramolecular synthons

topology

metal–organic frameworks

coordination polymers

graph set symbols

network analysis

3D nets

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