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Original Articles

A Modelling Approach to Organic Solid-State Chemistry

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Pages 155-168 | Published online: 17 Oct 2011
 

Abstract

A method is described for the analysis of non-bonded forces in crystalline organic compounds. It is developed by reference to the photoreactive compound 2-benzyl-5-benzylidene-cyclopentanone (BBCP) and its derivatives, but it is of general validity. The approach is valuable for predicting the structural consequences of substitution at different positions in a given molecule; this ability is of importance in predicting the reactivity of organic solids.

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