Graphical Evaluation of Activation Parameters Associated with DNMR Data:

Maheswaran Hariharasarma (chem044@uabdpo.dpo.uab.edu)
Wed, 23 Jul 1997 12:05:36 -0400

Dear BUMmers

I have recently performed complete band-shape analysis of exchange
broadened DNMR data with those of computed one. I would like to extract
relevant kinetic parameters,(Delta-H and Delta-S)associated with them by
performing a graphical evaluation of the temperature dependence of rate
constants over a wide temperature interval in accordance with Eyring
equation. I have been told lately that such a graphical evaluation
should be performed according to correct statistical formalism that
includes errors in both dependent (k/T) and independent variables (1/T)
in the linearized treatment of Eyring equation.

Is there any software currently available that would allow me to perform
linearized treatment of Eyring eqauation accordingly? Any information
pertaining to this will be greatly appreciated.

Thanks

Maheswaran Hariharasarma...
chem044@uabdpo.dpo.uab.edu