Author Topic: internal reaction coordinate  (Read 4670 times)

jbaltrus

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internal reaction coordinate
« on: June 27, 2010, 01:01:52 AM »
Might not be appropriate as TURBOMOLE team decides on their own, but maybe you could have a forum folder for suggestions?

I for once would like to suggest to implement internal reaction coordinate (IRC) scan sometime in the future

thanks

Jonas