Colour-fastness relationship

In dye chemistiy, the relationship between the molecular structure of a dye and its technical performance, including colour and fastness properties, is now well-established. As discussed at length in Chapter 2, computational methods have emerged as indispensible tools in the development of our fundamental understanding of the properties of coloured molecules and in the design of new products. Molecular modelling techniques, which include a range of methods based on quantum mechanics and molecular mechanics, allow the molecular and physical properties of a particular dye to be predicted by calculation with some confidence, and without the need to resort to synthesis. The same principles apply to the molecular structures of... 

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