CCL:G: TheRate kinetics code



 Sent to CCL by: Wai-To Chan [chan/a\curl.gkcl.yorku.ca]
 <<<<<<<<<<<<<<<<<,
 Hi,
  I am looking for a copy of TheRate, I have found several links online, but the
 code doesn't seem to be readily available any longer.  Could anyone provide me
 with a copy of this?
 thank you.
  Jim
  >>>>>>>>>>>>>>>
 	I installed Wendell Duncan's TheRate about 6 years ago. Never got
 to use it much beyond testing because of some minor problems in its
 compatibility with the machine I was using.
 I seem to remember some java scripts were used for running the program
 but can't remember if it was just the executable image rather than the code
 that was provided.
     There must be some kind of license agreement entailed in my
 acquisition of the program. I can't remember any details but
 will be very surprised if users other than the authors of the
 program are free to distribute the code.
    If what you need is a code for automatic manipulation of
 Gaussian output for the derivation of kinetic parameters take
 a look into
 "Iso-nitrous acid: spectral frequencies and possible synthetic
 pathways"
 Phys. Chem. Chem. Phys., 4, 557-560 (2002)
 by Chan and Pritchard
    The program used and mentioned in this paper is nowhere as
 sophisticated as TheRate. It doesn't have a GUI like TheRate
 but in my view is almost as easy to use. Users only need
 to input a set of g98 output files and a specified
 temperature range to obtain the A-factors and activation
 barrier derived from an Arrhenius plot plus thermochemical
 quantities. You may contact me if you decide that the program
 can do what you want. I must point out that development of
 this program has ceased since this paper was published
 and I cannot guarantee its distribution.
 Wai-To Chan