CCL:G: CCL RMS curve
- From: "Sidi Mohamed Mekelleche"
<sidi_mekelleche:-:hotmail.fr>
- Subject: CCL:G: CCL RMS curve
- Date: Sun, 24 Apr 2011 13:56:35 -0400
Sent to CCL by: "Sidi Mohamed Mekelleche"
[sidi_mekelleche**hotmail.fr]
Dear CCLers,
In addition of the curve E=f(IRC reaction coordiante), the curve RMS= f(IRC
reaction coordiante) is very important to deduce the nature (one-stage conceretd
vs. conceted two-stage) of the mechanism of the bond-formation process of the
two sigma bonds in a Diels-Alder or 1,3 cycloaddition reaction.
My question is "What is the significance of the gaussian shape of the
combinaison of two guassian shapes of the curve RMS=f(IRC coordiante)" ?
Sincerely,