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Accessibility to reaction centres is as important as electronic reactivity in determining the success of a reaction. The possibility of its calculation becomes a necessary requisite in the prediction of reaction products. Using a recently proposed approach to the calculation of reaction centre congestion based on a two dimensional representation of molecules, a new system has been realised that can...
The fate of a reaction depends on many factors like the electronic reactivity of the ground state molecules, conformation/configuration needs and solvent influence. It is often impossible to predict with any certainty the result, in terms of yield and products, of the interaction between two reactants. Thus the role of reaction centre accessibility is definitely determining but is itself difficult...
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