Method of calculating reaction rate constants from the structure of the reacting molecules
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It is shown that it is possible to use an additive scheme of calculation to express the relation between the structure of a molecule and its reactivity, considering only the geometry of the molecule, the types of bonds and their position with respect to the reaction center.
An empirical formula is given for calculating reaction rate constants from the structural formulas of the reacting molecules.
KeywordsReaction Center Empirical Formula Structural Formula Additive Scheme Calculate Reaction Rate
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