From: Richard Wood (rwoodphd_at_yahoo.com)
Date: Thu Sep 27 2007 - 11:22:57 CDT
Then I learned different kinetics.
What about A + B ------------->C?
|
| T1
| _
| / \
FE|\ / \
| \_/ \
| \_
| A+B C
|
|
|
|-------------------------->
Reaction pathway
Now, T1 is an intermediate and a transition state.
Richard
Richard L. Wood, Ph. D.
University of Minnesota
Dept. of Medicinal Chemistry,
College of Pharmacy
717 Delaware St. SE
Minneapolis, MN
55414-2959
rwoodphd_at_yahoo.com
----- Original Message ----
From: Raymond C. Fort Jr. <rcfort_at_maine.edu>
To: Richard Wood <rwoodphd_at_yahoo.com>
Sent: Thursday, September 27, 2007 10:39:26 AM
Subject: Re: namd-l: Determining Transition State from an Unfolding Simulation
At 08:34 AM 9/27/2007, you wrote:
>Isn't an "intermediate" by definition a "transition state"? That's
>how I learned reaction kinetics.
>
>Richard
No. An intermediate is a minimum on the potential energy surface; a
transition state is a first order saddle point.
>Richard L. Wood, Ph. D.
>University of Minnesota
>Dept. of Medicinal Chemistry,
>College of Pharmacy
>717 Delaware St. SE
>Minneapolis, MN 55414-2959
>rwoodphd_at_yahoo.com
>
>---- Original Message ----
>From: paco ty <typaco_at_inbox.com>
>To: namd-l_at_ks.uiuc.edu
>Sent: Thursday, September 27, 2007 5:35:14 AM
>Subject: namd-l: Determining Transition State from an Unfolding Simulation
>
>I think Richard by "transition state" means more an "intermediate".
>
>
>
>
>Yahoo! oneSearch: Finally,
><http://us.rd.yahoo.com/evt=48252/*http://mobile.yahoo.com/mobileweb/onesearch?refer=1ONXIC>mobile
>search that gives answers, not web links.
Professor Ray Fort Jr. rcfort_at_maine.edu
Department of Chemistry chemistry.umeche.maine.edu/fort.html
University of Maine Voice: (207)-581-1180
Orono, ME 04469 FAX: (207)-581-1191
Computer modeling of organic and biomolecules; chemistry of lignin
and cellulose
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