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CCL RM1 method Gaussian 03 | |||
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I have succesfully impimented the RM1 method in
Gaussian 03. All values which need to be changed
can be found under the heading :
START OF AM1 PARAMETERS
in the utilam.F file in the g03
directory.
I have attached a spread sheet of all of the values
which need to be changed:
RM1_Parameters.xls
My preliminary results with the method show
significant improvements over AM1 methods, in
particular for guanidinium systems, and in general
pi-systems involving N atoms.
Keith T. Butler
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