Abstract
Two of the major goals of physical chemistry is the prediction of equilibrium constants for chemical equilibria and the prediction of rate constants for elementary reactions. With the basic knowledge available to us today of molecular structure and geometry together with the techniques of quantum statistical mechanics it is now possible to estimate absolute entropies and heat capacities of molecules and radicals with good accuracy. Combining this information then allows us to estimate equilibrium constants. Where data on heats of formation are not available it is possible to use empirical methods to estimate them usually to within ±1 kcal/mole.
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References
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© 1984 D. Reidel Publishing Company
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Benson, S.W. (1984). Lectures on Thermochemistry and Kinetics. In: Ribeiro da Silva, M.A.V. (eds) Thermochemistry and Its Applications to Chemical and Biochemical Systems. NATO ASI Series, vol 119. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-6312-2_37
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DOI: https://doi.org/10.1007/978-94-009-6312-2_37
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