From owner-chemistry@ccl.net Sun Dec 25 02:27:01 2022
From: "Karen Jean Tejero Diez ktdiez*|*up.edu.ph" <owner-chemistry..server.ccl.net>
To: CCL
Subject: CCL: Correction on rate constant of solvent-based reaction
Message-Id: <-54836-221225004538-9323-xmvJiSF8ggiJPp+uwa/KtA..server.ccl.net>
X-Original-From: "Karen Jean Tejero Diez" <ktdiez(_)up.edu.ph>
Date: Sun, 25 Dec 2022 00:45:36 -0500


Sent to CCL by: "Karen Jean Tejero Diez" [ktdiez+/-up.edu.ph]
I am working on reactions in aqueous phase...  To calculate for the rate 
constant i used the KiSTHelP program.. However, the program specifies 
prediction of kinetic properties only in gas-phase chemical reactions. So Im 
just wondering if the values I got from KIsthelp are reliable considering the 
fact or theres a need for me to do some corrections to the rate constant values 
like incorporating diffusion limit effect via Collins-Kimball theory.

Karen Jean T. Diez
ktdiez[#]up.edu.ph