CCL:G: CCL RMS curve



 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,