Tunnel Correction to the BEBO Method
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Abstract
A tunnel corrected Bond-Energy-Bond-Order (BEBO) method for estimating chemical kinetics data is presented. It can give more accurate kinetic data than the original one (for the 42 reactions considered in this paper, the satndard deviation is 6.30kJ/mol for present work while the orignal BEBO method is 9.63 kJ/mol). In addition, a further corrected method is put forward for the reactions containing strong polar molecules like CF3, CCl3 and HCl etc., and a satisfied result is obtained in this way.
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