Thornton’s Rule

Prediction of the transition structure variation are embodied in Thornton s rules which resolve the change into components along and perpendicular to the reaction coordinate. These respond to changes in energy of structures at the corners of the reaction surface. 

The average oxycaloric quotient is -112.4 kJ e -moP for the 30 strains. Thus, a good estimate of the enthalpy of combustion is obtained with Thornton s rule. The low variability in y among the different strains (Table 11) is reflected by the similar modified enthalpy of combustion of bacteria (- 460.3 kJ CmoP ) and yeast (-481.1 kJ C-moP ). Thus, an average value can be used to calculate the energy balance in a first approximation. 

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